data_2n3w_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 2n3w _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 ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.758 0.313 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.1 mm -43.98 -32.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.98 -56.29 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.1 -56.33 23.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 496' ' ' ALA . 11.0 mp -45.88 -57.6 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -43.99 -36.78 3.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 495' ' ' ILE . 96.1 mt -89.29 -16.99 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -67.52 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -79.1 27.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.01 89.81 0.59 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.453 ' HG ' ' N ' ' A' ' 501' ' ' LYS . 21.5 p -165.25 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.337 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.453 ' N ' ' HG ' ' A' ' 500' ' ' SER . 24.9 mtmm 55.48 57.6 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.3 OUTLIER -76.21 -150.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.652 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 17.1 m-20 -123.02 -24.67 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.37 -17.76 61.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.39 -10.36 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.348 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.77 67.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.0 -28.53 12.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.87 -45.64 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.678 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.546 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.4 mt -48.13 -66.05 0.64 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.649 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.0 -53.5 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.68 2.253 . . . . 0.0 111.734 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.62 -31.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.73 36.85 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -157.37 -33.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.564 ' O ' ' OG1' ' A' ' 516' ' ' THR . 0.6 OUTLIER -38.28 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.633 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 515' ' ' SER . 4.9 m -172.23 98.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.736 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 516' ' ' THR . 13.9 t70 52.61 113.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' NH1' ' A' ' 553' ' ' ARG . 4.0 mp -137.58 148.04 59.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.76 121.74 3.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.858 2.372 . . . . 0.0 111.954 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.92 -6.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 519' ' ' PRO . 39.6 tp10 -64.09 -54.32 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 38.2 m -99.4 -32.32 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.622 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.96 -65.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.28 -65.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.8 mtt -39.87 -67.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 27.1 t -41.58 -50.92 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -48.61 -61.64 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.55 -49.95 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.5 tt -44.42 -57.97 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.44 -39.04 93.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.9 -53.06 10.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 535' ' ' VAL . 69.1 t -70.08 -63.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.512 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -75.84 31.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -62.13 -33.2 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.633 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -73.71 -81.63 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.6 t -67.92 -171.2 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.521 ' N ' ' OG1' ' A' ' 537' ' ' THR . 28.2 p -173.08 -177.33 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -167.16 170.4 11.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.62 -53.17 6.07 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.465 ' O ' ' OG ' ' A' ' 545' ' ' SER . 33.9 m-20 -39.54 -45.67 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.545 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.95 -52.35 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.485 ' HG1' ' HH ' ' A' ' 574' ' ' TYR . 12.1 m -62.35 -63.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.9 p -40.18 -36.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 8.0 m -76.44 -66.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.249 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -39.68 -30.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 545' ' ' SER . 4.0 tpt -72.55 -47.9 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 545' ' ' SER . 78.6 m-20 -48.05 -37.51 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 552' ' ' GLU . 0.5 OUTLIER -69.65 -52.41 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.459 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -40.89 -35.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.5 mp -76.97 -41.86 41.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.483 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 56.2 mm-40 -75.3 14.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 561' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -146.63 -12.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.0 p -52.96 -15.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -70.92 -37.76 72.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -81.19 -60.67 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.457 ' CD1' ' H ' ' A' ' 566' ' ' LEU . 10.3 mp -43.51 -46.13 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.33 51.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.3 tp -46.66 -72.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.525 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.89 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.4 tp -41.18 -23.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -75.62 -75.96 0.81 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.8 mt -50.71 -27.2 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 49.2 tp -46.28 -26.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.485 ' HH ' ' HG1' ' A' ' 543' ' ' THR . 54.5 m-85 -118.0 163.39 16.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ptm -173.86 -14.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -77.34 -150.6 4.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.82 144.01 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.708 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 140.35 69.63 0.04 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 578' ' ' GLY . 7.0 mp0 25.97 34.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.708 ' N ' ' O ' ' A' ' 578' ' ' GLY . 54.5 mt-30 -69.69 -63.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.77 -28.27 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -58.91 -49.44 77.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.7 -42.71 99.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.486 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.1 t -51.8 -56.02 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.8 mp -53.99 -40.53 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.42 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -54.17 -39.36 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.33 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 590' ' ' ALA . 40.1 m -61.97 -55.77 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.08 -28.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.297 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 46.5 t -86.46 -29.51 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.92 -36.25 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.327 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 592' ' ' GLU . 13.6 pt -89.44 -157.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 591' ' ' ILE . 22.1 mt-10 -59.31 -147.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 0.5 OUTLIER -157.47 68.31 4.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 593' ' ' HIS . 3.1 Cg_exo -75.85 -158.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.939 2.426 . . . . 0.0 111.915 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.49 -19.0 63.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.5 m -49.53 -26.36 3.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 80.8 p -43.01 -37.98 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -53.33 -39.05 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.25 -40.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -50.55 -31.95 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.32 -49.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.5 tp -47.51 -62.41 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.29 -52.87 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -44.69 -31.92 2.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 20.9 t -76.59 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.499 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 46.6 t -74.98 119.15 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 177.39 160.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.42 ' N ' ' O ' ' B' ' 17' ' ' VAL . 26.0 ttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -94.37 121.25 35.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -126.73 151.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.527 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 92.1 m-85 -108.14 141.27 40.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.604 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -120.25 103.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -89.11 117.65 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.719 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.456 ' HG1' ' HG1' ' B' ' 9' ' ' THR . 58.4 p -87.18 142.56 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -45.3 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.456 ' HG1' ' HG1' ' B' ' 7' ' ' THR . 71.6 p -46.33 -62.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.78 82.12 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -175.11 159.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -136.75 104.59 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.55 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.744 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.527 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 51.1 m -109.2 125.35 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -120.47 158.22 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.717 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -111.0 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' B' ' 1' ' ' MET . 9.7 m -98.19 -174.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.768 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.445 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 50.6 mt-10 -135.58 146.6 58.14 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.24 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.0 -23.51 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.902 2.401 . . . . 0.0 112.297 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.446 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.3 OUTLIER -95.45 22.83 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.3 m-20 -96.17 133.1 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.5 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.1 p -82.21 139.12 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.402 HD13 HG22 ' B' ' 23' ' ' ILE . 21.5 mm -40.92 -50.49 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.62 -39.32 57.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.3 OUTLIER -63.21 -41.27 99.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.325 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.01 -50.08 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -52.81 -38.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.3 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.79 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -56.61 -38.74 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.75 -45.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -55.22 -34.93 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.32 -29.28 61.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -74.08 -57.79 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -97.7 -81.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.73 12.49 0.05 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.514 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 43.6 mt -79.86 113.18 35.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.652 0.263 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.19 138.47 13.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.53 2.154 . . . . 0.0 111.919 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.61 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.724 2.283 . . . . 0.0 111.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.5 -34.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 72' ' ' ARG . 10.4 mm100 -95.49 59.82 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 70.5 mt-30 -153.01 106.32 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -103.41 103.72 13.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.64 131.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.75 147.67 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.449 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.5 t80 -137.71 177.22 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.639 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -34.89 -34.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.6 -89.56 0.53 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 16.6 ttmt -153.43 -142.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.538 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 48.9 tt0 -84.12 131.43 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -83.1 128.41 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.7 mp0 -80.12 159.52 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.02 110.23 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 145.66 -66.32 0.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -46.17 175.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 p -115.71 169.44 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -10.61 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.1 p -88.49 -11.93 44.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -82.34 -39.96 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -86.03 5.97 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.27 35.28 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.94 101.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -80.2 -157.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.65 160.53 19.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 59.3 35.18 23.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -94.47 130.74 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.8 m -94.32 105.27 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.56 123.27 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.34 101.36 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.459 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.403 HD13 ' H ' ' B' ' 70' ' ' VAL . 41.6 tp -94.27 131.85 39.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.403 ' H ' HD13 ' B' ' 69' ' ' LEU . 19.5 t -126.31 135.9 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.401 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 8.3 mp -79.54 125.56 29.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.567 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.534 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 53.7 ttt85 -81.91 75.57 8.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 8.7 mt 58.8 148.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 73' ' ' LEU . 93.1 mtt180 -41.93 163.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.62 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.419 ' O ' ' OXT' ' B' ' 76' ' ' GLY . . . -160.38 106.88 0.3 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . 0.419 ' OXT' ' O ' ' B' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.02 -1.433 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.57 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.9 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -95.25 112.28 24.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -114.92 155.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -113.06 146.02 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.76 107.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.41 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -86.02 134.1 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.533 ' C ' ' H ' ' C' ' 9' ' ' THR . 67.8 p -85.49 163.58 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 40.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.533 ' H ' ' C ' ' C' ' 7' ' ' THR . 3.2 m -153.18 -57.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.21 -51.56 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -43.63 137.44 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -123.26 157.61 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -131.08 138.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -105.84 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 2.5 mm? -101.53 127.44 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.478 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -88.87 82.28 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.291 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.8 m -106.97 -166.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.0 mt-10 -136.35 178.07 1.91 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.061 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.58 -26.18 12.06 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.29 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 16.59 13.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.5 m-20 -87.68 138.76 31.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.2 p -87.41 141.45 28.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -46.2 -53.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -44.76 -43.79 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.174 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.92 -47.78 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -54.33 -51.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.163 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -51.82 -35.31 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.091 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.4 86.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.09 -29.94 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.312 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.81 -39.34 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.381 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.38 -35.76 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.406 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.08 -31.05 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.633 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -76.12 -63.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.08 -90.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.64 3.98 0.04 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 34.0 mt -79.35 131.5 65.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.618 0.247 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.12 143.55 36.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.551 2.167 . . . . 0.0 111.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.553 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -45.86 -61.67 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.792 2.328 . . . . 0.0 111.96 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -41.33 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' C' ' 38' ' ' PRO . 82.9 mt-30 -112.13 54.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -146.78 168.11 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.645 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -171.09 103.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 mt -85.26 128.61 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -125.2 139.84 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -144.92 134.7 23.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.14 25.94 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 51.27 10.74 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.64 135.95 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' C' ' 49' ' ' GLN . 3.5 mp0 -74.32 135.95 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 mt -93.78 105.85 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.58 154.74 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.58 173.97 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.24 -41.99 2.97 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.44 170.86 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -116.5 167.07 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.26 -5.3 22.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -88.46 -29.68 19.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.31 -39.41 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -87.77 8.5 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 58.34 16.69 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.46 101.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.393 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' C' ' 65' ' ' SER . 37.8 mt-30 -81.2 -157.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -86.31 160.44 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 59.2 32.17 21.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' C' ' 62' ' ' GLN . 1.3 m -89.11 126.98 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -90.48 96.84 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.59 129.91 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -82.33 99.66 9.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.1 133.74 36.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.4 HG13 ' H ' ' C' ' 71' ' ' LEU . 2.2 t -141.01 168.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.4 ' H ' HG13 ' C' ' 70' ' ' VAL . 22.4 mt -115.39 99.38 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' C' ' 73' ' ' LEU . 45.0 ttt85 -58.84 162.38 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' C' ' 72' ' ' ARG . 6.4 tp -156.61 141.75 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -62.98 -178.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.16 -133.62 1.75 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 490' ' ' ILE . 16.7 mm -53.24 -40.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.94 -50.77 6.05 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 18.2 tp -61.41 -34.41 75.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.51 18.31 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.5 tt -76.05 -12.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -62.56 -63.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.631 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.6 p90 -79.17 18.89 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.85 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.67 88.34 1.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.2 m -154.45 -66.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.3 tttm 58.84 44.2 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -83.27 -150.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -88.96 -41.33 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.1 t -48.32 -51.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.375 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 506' ' ' LEU . 10.6 mp -86.64 -19.91 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.43 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.87 -4.82 55.91 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.9 -42.91 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.15 -58.67 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.544 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.9 tp -45.08 -59.97 3.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.25 -49.82 11.0 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.538 2.159 . . . . 0.0 111.667 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.09 -20.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.51 7.37 17.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.488 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -137.19 2.71 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 511' ' ' PRO . 27.3 t -59.0 -85.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 515' ' ' SER . 3.6 m -168.0 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.8 114.06 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.26 158.66 33.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.431 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.88 111.75 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.893 2.395 . . . . 0.0 112.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.18 -38.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.23 -39.55 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 55.3 p -84.0 -64.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.528 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.54 -24.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.8 mtt -54.33 -23.35 14.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.26 -66.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 55.0 p -51.88 -25.91 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.57 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.26 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -54.39 47.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.47 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -53.22 -46.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 535' ' ' VAL . 98.0 t -71.21 -49.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.662 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.1 13.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.2 p -52.5 -35.38 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.23 -50.22 5.9 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 30.4 p -82.1 -174.26 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 10.3 t -171.48 154.82 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 59.3 t-20 -167.07 134.54 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -57.85 -40.03 92.44 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.07 -35.73 5.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.0 -37.56 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -68.47 -47.17 67.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.431 ' HG1' ' N ' ' A' ' 545' ' ' SER . 40.8 p -51.61 -47.55 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.431 ' N ' ' HG1' ' A' ' 544' ' ' THR . 1.5 t -64.71 -50.9 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.189 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -28.48 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.8 tpt -72.13 -38.82 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.94 -36.68 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.462 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -45.69 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.43 -32.22 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 553' ' ' ARG . 25.3 tp -74.02 -52.48 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.95 29.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.527 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.3 ttm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.445 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.426 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 13.7 p-90 -164.09 -41.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 38.8 t -47.15 -25.64 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -68.22 -43.03 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -62.09 -46.74 87.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.477 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 9.4 mp -57.85 -61.74 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -48.12 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 56.3 tp -45.88 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 43.7 tp -41.99 -21.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -81.91 -77.29 1.05 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.6 tt -46.14 -24.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -48.11 -27.29 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -109.17 132.11 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 16.7 mmt -84.99 10.47 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 84.1 57.25 2.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.43 -100.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.07 -101.39 0.14 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.74 -32.27 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 580' ' ' GLN . 0.4 OUTLIER -46.76 -57.43 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 584' ' ' VAL . 98.1 t -54.89 -49.81 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 581' ' ' VAL . 9.8 t70 -38.72 -44.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.87 -42.87 80.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 581' ' ' VAL . 46.6 t -52.76 -44.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.91 -44.86 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.22 -34.61 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 590' ' ' ALA . 17.2 m -67.49 -55.38 13.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 98.9 mt -43.86 -32.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 62.4 m -78.07 -32.04 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.19 -26.41 62.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' A' ' 593' ' ' HIS . 7.5 mm -77.84 172.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 591' ' ' ILE . 93.3 mt-10 -46.65 -11.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.561 ' H ' ' C ' ' A' ' 591' ' ' ILE . 37.5 t60 60.31 70.29 1.03 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.541 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.78 -153.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.919 2.413 . . . . 0.0 111.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 55.1 mtt -73.19 22.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.541 ' H ' ' C ' ' A' ' 594' ' ' PRO . 12.1 t -74.31 -2.9 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.539 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.2 m -41.06 -37.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.89 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 599' ' ' ILE . 90.9 mt -42.33 -30.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.23 -47.38 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.21 -58.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 602' ' ' LEU . 10.0 mp -49.98 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.6 t -49.96 -27.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.05 93.53 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 -70.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.8 120.61 26.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.27 -73.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 17' ' ' VAL . 18.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.62 HE21 ' N ' ' B' ' 3' ' ' ILE . 1.6 tm0? -93.74 130.37 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.62 ' N ' HE21 ' B' ' 2' ' ' GLN . 15.0 pt -138.58 149.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.669 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.434 ' CE2' ' NE2' ' B' ' 2' ' ' GLN . 98.0 m-85 -104.84 149.41 25.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.681 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.76 107.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.42 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -85.72 137.8 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.487 ' C ' ' H ' ' B' ' 9' ' ' THR . 40.1 p -103.41 142.03 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 41.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.487 ' H ' ' C ' ' B' ' 7' ' ' THR . 77.0 p -139.67 -32.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.36 62.75 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -174.77 131.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -108.5 156.47 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.46 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -137.24 130.35 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -100.73 128.03 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.74 133.43 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.777 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -92.49 76.84 5.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.262 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.7 m -97.2 -163.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.6 mt-10 -138.32 177.5 2.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.099 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.3 Cg_exo -75.32 -42.22 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.749 2.3 . . . . 0.0 112.175 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -71.42 -11.9 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.767 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.06 136.38 57.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.429 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.7 p -89.08 140.87 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.424 HG23 HD11 ' B' ' 23' ' ' ILE . 26.5 mm -41.2 -55.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -49.15 -35.68 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.534 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 16.7 t-20 -64.9 -44.01 90.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.131 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.9 -40.05 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.181 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.237 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.2 mttp -58.14 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.88 -44.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.403 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.19 -35.9 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -72.04 -27.99 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.04 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -94.52 -95.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.66 15.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.564 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 32.2 mt -81.32 112.67 35.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.26 137.91 13.71 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.598 2.199 . . . . 0.0 111.944 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.34 -56.43 2.94 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.728 2.286 . . . . 0.0 111.96 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.81 -30.82 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -100.91 61.63 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 59.3 mt-30 -153.27 92.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -88.43 110.72 21.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.453 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.53 121.69 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.694 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 mt -117.99 142.33 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.9 t80 -147.8 112.16 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 590' ' ' ALA . . . 42.05 -85.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.623 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -42.03 -86.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 47.1 tttt -157.04 -141.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 49.3 tt0 -88.71 136.95 32.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.253 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.405 HD22 ' N ' ' B' ' 50' ' ' LEU . 5.7 mt -85.67 126.03 33.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -78.96 160.18 27.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -78.06 115.86 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.585 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 141.49 -66.83 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.7 mmt85 -45.56 174.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 50.6 p -116.33 170.49 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.6 -0.3 8.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.742 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.9 m -93.17 -40.64 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.578 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -53.07 -38.16 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -88.44 8.26 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 53.55 36.05 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.728 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.21 101.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.413 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.71 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.61 159.77 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 63.59 31.37 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.697 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -91.19 123.69 34.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -93.45 94.69 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.421 HD11 ' H ' ' B' ' 67' ' ' LEU . 2.2 mp -86.38 141.21 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -85.99 141.26 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -128.2 131.26 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -137.91 116.53 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 161.88 28.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttt-85 -62.11 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -173.62 111.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -79.06 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.95 -73.12 0.47 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.512 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -103.43 121.04 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.88 149.43 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.21 147.47 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -125.06 102.61 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -85.52 126.3 33.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -84.52 155.7 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.364 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -71.71 49.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 26.0 p -149.82 -44.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.42 -28.33 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' C' ' 34' ' ' GLU . 37.0 ttpt -68.27 155.58 39.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -138.38 143.39 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.25 143.5 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -109.56 116.96 32.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.369 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.17 134.06 55.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.773 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -91.74 113.26 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.29 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.0 m -135.32 -165.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.516 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 13.4 mp0 -142.9 148.43 45.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.258 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -43.85 14.03 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.887 2.391 . . . . 0.0 112.224 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -39.92 92.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 14.7 m-20 -40.64 146.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 3.9 p -98.1 146.25 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.597 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.93 -51.15 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -48.59 -44.32 36.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.192 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.563 HD22 ' HZ2' ' C' ' 29' ' ' LYS . 0.3 OUTLIER -59.0 -40.02 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.193 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.02 -46.67 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -54.41 -39.83 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.08 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.393 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . 0.563 ' HZ2' HD22 ' C' ' 25' ' ' ASN . 36.5 mttp -57.38 -41.1 79.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.304 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.14 -45.22 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.411 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.05 -35.35 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.59 -36.64 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -68.76 -60.89 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.465 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' C' ' 11' ' ' LYS . 67.2 mm-40 -90.52 -95.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.52 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.81 23.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 81.5 mt -90.99 106.21 14.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.697 0.284 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.63 137.26 11.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.776 2.317 . . . . 0.0 111.979 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.571 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.32 -44.95 19.57 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.729 2.286 . . . . 0.0 112.014 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.39 9.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.71 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.0 mt-30 -137.02 54.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -150.77 177.57 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' C' ' 49' ' ' GLN . 51.6 ttm-85 -171.3 104.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -86.72 119.04 26.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -118.82 136.19 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.53 134.15 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 44.21 13.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 53.11 49.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -159.53 121.45 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' C' ' 42' ' ' ARG . 25.9 tt0 -73.57 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.44 122.05 30.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -78.69 158.96 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.59 162.99 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.46 -64.5 2.55 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -41.76 150.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 110.634 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.557 ' C ' ' H ' ' C' ' 57' ' ' SER . 30.9 p -98.93 157.25 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.26 2.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.557 ' H ' ' C ' ' C' ' 55' ' ' THR . 38.1 t -96.15 -37.73 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -55.79 -41.53 74.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -83.79 6.11 22.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m120 56.61 29.83 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.51 98.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -77.66 -157.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -83.67 159.91 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.23 32.25 20.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -91.59 126.44 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 15.2 m -91.33 118.16 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.21 125.51 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -78.61 101.66 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 131.5 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.13 172.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.04 166.99 11.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -145.74 169.3 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' C' ' 74' ' ' ARG . 43.0 tp -169.38 148.74 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 73' ' ' LEU . 31.5 mtt-85 -41.17 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.54 -136.67 2.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.2 mm -51.09 -36.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 20.9 tp -52.59 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.62 -50.2 54.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 5.7 tp -46.49 -47.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.73 91.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.1 mm -80.58 -2.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -81.12 -75.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -77.5 20.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -45.78 -67.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.3 73.68 0.59 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 24.0 m -137.43 -62.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 56.33 68.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.4 OUTLIER -105.37 -148.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.542 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.594 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 20.0 m-20 -114.54 -14.65 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -81.08 -44.66 17.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.229 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.5 t -45.76 -55.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.69 -26.61 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.66 -4.68 54.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.57 -41.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.828 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -44.56 -60.34 3.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.685 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.88 -49.12 11.48 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.62 2.213 . . . . 0.0 111.737 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.8 mt -56.87 -19.49 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 26.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.03 -38.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.56 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 514' ' ' ALA . 65.2 m -31.57 -64.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.469 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 23.6 m -153.36 -79.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 518' ' ' LEU . 21.2 t70 -146.46 -55.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 517' ' ' ASP . 2.7 mt 51.48 173.97 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.96 156.93 43.21 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.804 2.336 . . . . 0.0 112.031 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 522' ' ' THR . 61.2 mt -74.03 -39.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -41.21 -27.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' THR . . . . . 0.427 ' HG1' ' H ' ' A' ' 523' ' ' ALA . 68.1 p -108.65 -57.49 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.427 ' H ' ' HG1' ' A' ' 522' ' ' THR . . . -44.12 -41.58 5.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 525' ' ' MET . . . -64.81 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 524' ' ' ALA . 21.6 mmt -37.85 -47.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.19 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.3 p -57.47 -21.95 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -37.59 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -75.09 -44.08 49.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.98 -64.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -49.86 -51.07 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -41.18 -56.61 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.2 t -67.56 -55.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.55 30.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -70.33 -26.51 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.69 -67.09 1.58 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.7 p -68.78 -171.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 31.2 t -172.27 155.88 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -161.28 127.01 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -45.04 -35.16 4.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -50.13 -46.06 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.19 -37.23 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.3 m -66.64 -55.46 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.5 p -46.17 -31.12 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -56.4 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.02 -21.91 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.1 tpt -77.63 -58.07 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -44.35 -37.4 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.605 HD22 ' NH1' ' A' ' 553' ' ' ARG . 0.4 OUTLIER -68.54 -53.59 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -48.73 -32.46 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.3 tp -69.71 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 516' ' ' THR . 19.9 mt-10 -44.42 -37.85 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.605 ' NH1' HD22 ' A' ' 549' ' ' ASN . 50.4 ttm-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.84 0.352 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 46.6 p90 -161.07 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.482 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 5.8 p -53.3 -12.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.523 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 562' ' ' TRP . 10.9 tpt180 -68.5 -44.85 73.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -78.13 -53.19 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 566' ' ' LEU . 10.7 mp -49.07 -45.17 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.43 72.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.07 -58.33 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.98 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.5 tp -40.53 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.523 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.77 -77.69 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.7 tt -54.32 -13.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -45.2 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -55.77 117.08 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 12.6 tpt -92.52 -57.03 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -87.3 111.94 3.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -47.46 167.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 159.94 179.9 35.04 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -73.83 -15.79 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.74 -52.67 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 7.7 p -49.1 -42.7 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.448 ' N ' ' CG1' ' A' ' 581' ' ' VAL . 33.9 t0 -53.6 -41.94 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.519 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.61 -41.79 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.02 -45.59 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.01 -49.32 75.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.444 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -49.22 -33.28 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.336 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 9.2 m -69.66 -47.46 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.433 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.2 mt -46.68 -36.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.7 p -74.42 -33.48 62.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -59.14 -22.11 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 37.9 pt -119.19 -163.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.06 174.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 593' ' ' HIS . 3.3 p80 -143.66 74.29 16.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.553 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.52 -152.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.97 2.447 . . . . 0.0 111.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 26.2 mtt -69.4 37.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.553 ' H ' ' C ' ' A' ' 594' ' ' PRO . 9.9 t -94.35 -7.53 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.3 p -45.31 -40.35 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.96 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 66.7 mt -74.48 -51.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -45.81 -62.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.48 -53.19 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -45.02 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.68 -40.13 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.09 -31.82 56.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 606' ' ' CYS . 33.4 p -79.4 -58.49 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . 0.437 ' N ' ' OG ' ' A' ' 605' ' ' SER . 41.9 t -74.8 124.29 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.81 -155.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 47.1 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' B' ' 2' ' ' GLN . 7.9 pt20 -85.59 122.5 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -123.2 144.87 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -98.94 142.47 30.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.89 104.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -90.13 119.93 30.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.719 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.515 ' C ' ' H ' ' B' ' 9' ' ' THR . 26.6 p -89.66 143.28 26.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 42.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.515 ' H ' ' C ' ' B' ' 7' ' ' THR . 52.6 p -135.63 -15.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 65.48 0.63 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -173.99 141.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -120.45 132.34 55.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -119.28 133.76 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.776 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.02 122.38 46.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -125.27 139.87 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' OE2' ' B' ' 18' ' ' GLU . 4.4 tm-20 -91.06 113.68 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.409 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -133.91 -170.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.686 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' B' ' 20' ' ' SER . 49.9 mm-40 -138.59 144.02 40.52 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.367 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -9.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.869 2.379 . . . . 0.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -105.01 12.69 31.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.724 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 18' ' ' GLU . 3.6 m-20 -87.6 137.43 32.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 55.5 p -84.63 138.21 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.401 HG21 HD12 ' B' ' 23' ' ' ILE . 28.5 mm -44.88 -40.41 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.372 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.01 -41.74 88.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.557 ' H ' ' HG1' ' B' ' 22' ' ' THR . 16.9 m-20 -62.51 -40.73 97.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.72 -49.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.28 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -53.4 -40.16 64.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.28 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.71 83.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -55.9 -38.94 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.4 -49.58 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.422 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -53.44 -30.97 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -75.81 -30.43 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -77.39 -61.67 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -91.04 -109.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.22 25.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 71.2 mt -97.65 99.94 7.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.594 0.235 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.9 Cg_endo -44.77 144.21 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.723 2.282 . . . . 0.0 112.018 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.32 -66.96 0.13 Allowed 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.792 2.328 . . . . 0.0 112.031 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.3 t70 -36.92 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 73' ' ' LEU . 15.1 mm100 -97.51 60.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.644 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 66.9 mt-30 -154.64 137.28 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -134.06 96.94 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.12 136.42 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -136.72 144.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.369 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 60.4 t80 -135.1 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -35.55 -45.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.703 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.66 -90.02 0.06 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 43.1 tttt -154.11 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.31 . . . . 0.0 110.542 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 39.1 tt0 -86.04 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.55 129.94 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -88.41 159.73 17.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.21 162.92 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.66 -67.02 3.07 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.63 ' NE ' ' N ' ' B' ' 54' ' ' ARG . 4.2 mmp_? -43.14 169.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.663 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.4 p -113.13 171.55 7.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -66.51 -28.97 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.484 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.8 t -66.05 -28.05 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' B' ' 59' ' ' TYR . 59.8 m-20 -77.56 30.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.484 ' H ' ' C ' ' B' ' 57' ' ' SER . 76.7 m-85 -158.48 4.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.8 m-20 59.57 24.69 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.11 98.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -80.24 -160.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -82.62 161.93 22.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 56.15 32.79 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.8 m -91.2 130.28 37.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -92.54 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.76 123.76 46.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -78.66 104.21 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.2 tt -96.19 118.69 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.65 114.82 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.65 ' H ' ' CD2' ' B' ' 71' ' ' LEU . 1.7 pt? -85.57 141.19 30.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.602 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' NE ' ' OE1' ' B' ' 40' ' ' GLN . 6.6 ptm180 -90.42 71.07 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 17.5 mt 61.35 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.512 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -158.6 -171.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.83 79.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.812 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.903 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.5 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -92.86 123.35 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.62 142.37 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -96.39 136.25 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.94 105.17 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.408 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -83.82 133.06 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.7 p -83.11 -139.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.94 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 3.5 m -160.15 -14.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.45 64.7 0.24 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -173.39 148.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' C' ' 13' ' ' ILE . 94.7 m -135.76 161.45 35.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' C' ' 12' ' ' THR . 3.2 mt -138.41 137.52 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -106.19 102.66 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 3.4 mm? -97.12 133.92 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.0 103.46 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.4 m -129.44 -164.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 5.0 mt-10 -145.86 146.73 29.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.238 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.32 -13.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.866 2.377 . . . . 0.0 112.274 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.6 p -105.08 19.94 19.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.799 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -93.34 137.48 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.434 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.459 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.5 p -82.38 129.23 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.42 HG22 HD13 ' C' ' 23' ' ' ILE . 35.4 mm -38.82 -51.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.449 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -49.82 -43.31 48.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' C' ' 22' ' ' THR . 16.5 t-20 -60.24 -41.81 93.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -48.42 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -53.26 -41.71 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.268 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' C' ' 32' ' ' ASP . . . -60.64 -46.42 90.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.301 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -56.9 -38.83 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.84 -42.08 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.51 -36.4 73.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' C' ' 28' ' ' ALA . 1.3 m-20 -70.61 -34.37 72.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -71.4 -58.93 3.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -93.03 -95.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.9 17.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.456 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 27.7 mt -90.14 105.91 12.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -45.77 144.3 5.69 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.649 2.233 . . . . 0.0 111.956 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.58 -62.78 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.85 2.367 . . . . 0.0 111.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -44.9 -29.79 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -97.19 55.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.4 mt-30 -149.13 165.45 31.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.469 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 52.2 ttt180 -162.73 103.72 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -92.55 117.39 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.9 mt -116.59 128.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' C' ' 47' ' ' GLY . 70.8 t80 -128.98 126.04 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 73.28 -9.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' C' ' 45' ' ' PHE . . . 121.54 -14.45 9.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -98.94 143.67 28.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -81.15 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.75 111.63 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 154.79 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -77.11 172.3 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.24 -61.97 2.22 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -46.63 168.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.446 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 28.2 p -108.53 173.44 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.67 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.91 -22.16 64.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.694 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.446 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 19.1 p -69.54 -27.28 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.644 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -76.42 15.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' C' ' 57' ' ' SER . 94.8 m-85 -143.07 4.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 54.26 46.87 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.11 110.27 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.4 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -88.57 -171.44 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.779 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.15 160.38 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 59.27 28.71 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.726 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -85.38 127.75 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -92.94 104.01 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.52 172.69 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.467 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -122.76 99.3 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -85.15 130.62 34.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.36 159.66 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' C' ' 71' ' ' LEU . 3.7 mm? -84.09 125.23 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.07 148.0 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 59.2 tp -170.56 88.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.95 156.86 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.59 -144.58 6.92 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.4 mm -42.58 -47.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 491' ' ' LEU . 9.9 mp -59.17 -42.84 91.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.84 -48.75 84.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.8 mp -58.08 -36.95 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -44.09 93.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 28.4 pt -87.29 1.58 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.722 0.296 . . . . 0.0 110.619 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -84.01 -59.44 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 51.9 p90 -89.54 20.47 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -38.66 -67.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 80.11 0.26 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.0 m -138.26 -67.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 62.49 64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -91.96 -94.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -177.61 -30.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 505' ' ' VAL . 19.9 tp10 -81.09 -38.95 26.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 504' ' ' GLU . 4.3 t -38.93 -49.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.279 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' A' ' 508' ' ' LEU . 7.7 mt -82.55 -30.7 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.378 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -55.35 -9.34 2.17 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.8 tp -120.76 -43.38 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.318 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 510' ' ' LEU . 74.2 mt -66.21 -63.15 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.792 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.9 mt -38.4 -64.78 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.55 -53.56 5.4 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.749 2.299 . . . . 0.0 111.744 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.5 mt -51.38 -17.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -128.12 11.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -154.95 16.61 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.8 m -63.04 -57.13 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.664 ' HG1' ' NH2' ' C' ' 42' ' ' ARG . 3.2 m -168.25 -53.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -168.51 68.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.43 149.87 40.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 124.05 5.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.757 2.304 . . . . 0.0 111.986 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.5 -13.96 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.16 -46.48 89.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 69.0 p -87.97 -49.42 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.52 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -51.17 -46.4 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.8 mtt -59.87 -71.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -43.1 -47.48 6.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.7 t -47.16 -45.06 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.53 -31.42 69.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.37 -53.55 49.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.6 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.95 -51.26 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 535' ' ' VAL . . . -42.46 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -56.48 -50.17 72.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.59 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.8 t -69.75 -68.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.98 17.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.6 p -46.33 -47.95 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . 0.439 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -78.69 -73.95 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.5 m -62.84 115.66 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.8 m -104.12 170.39 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.443 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -163.16 167.87 21.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.28 -47.31 8.33 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.465 ' O ' ' OG ' ' A' ' 545' ' ' SER . 9.7 m-20 -44.5 -41.68 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.9 -59.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.6 m -59.46 -59.19 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 78.6 p -40.74 -55.21 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 4.2 m -60.17 -55.72 30.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.347 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -29.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.221 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -77.62 -43.45 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -45.95 -47.88 16.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.322 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -69.05 -40.91 78.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.297 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.505 ' CZ ' ' NH2' ' A' ' 553' ' ' ARG . 15.6 t80 -59.53 -29.38 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.438 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 553' ' ' ARG . 16.9 tp -72.46 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 516' ' ' THR . 31.1 mt-10 -71.35 22.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.5 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.565 ' H ' ' C ' ' A' ' 551' ' ' LEU . 34.7 ttp180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.796 0.331 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 54.0 p-90 -168.47 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.588 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.8 p -44.32 -19.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 562' ' ' TRP . 29.5 ttm-85 -80.58 -71.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.72 -47.26 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.4 tp -56.4 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.33 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.7 -53.4 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -50.37 -58.19 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.07 -3.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -93.51 -67.25 1.07 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.443 HG21 HD12 ' A' ' 572' ' ' ILE . 11.3 mm -60.16 -39.5 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.2 tp -42.43 -68.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.23 107.32 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.47 -7.53 14.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 58.75 102.62 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -163.27 17.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -173.79 173.89 46.01 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -65.93 -1.39 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.418 ' H ' ' C ' ' A' ' 578' ' ' GLY . 61.0 mt-30 -52.55 -55.4 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 5.8 p -52.05 -38.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.406 ' N ' ' CG1' ' A' ' 581' ' ' VAL . 7.1 t70 -52.92 -46.56 68.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.93 -49.43 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 51.3 t -42.15 -48.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.86 -40.43 92.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.426 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -55.49 -40.96 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.308 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.4 m -62.81 -48.45 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 79.7 mt -46.27 -39.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.26 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.5 t -67.32 -34.2 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.268 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -56.8 -32.51 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 51.5 mt -103.36 75.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 54.72 -158.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 0.0 OUTLIER -175.49 46.17 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.634 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.7 Cg_endo -44.26 -102.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.939 2.426 . . . . 0.0 111.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.548 ' C ' ' H ' ' A' ' 597' ' ' SER . 0.6 OUTLIER -107.73 3.71 24.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.712 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 598' ' ' ALA . 9.8 t -48.48 -10.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.548 ' H ' ' C ' ' A' ' 595' ' ' MET . 69.5 m -44.01 -19.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -74.2 -48.83 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.38 -30.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -65.92 -35.79 81.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.79 -47.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.08 -71.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.574 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.83 -38.85 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.74 -38.31 53.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.6 m -70.13 -46.19 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.0 110.6 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.08 119.61 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -179.93 -174.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.537 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 34.8 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.524 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -98.79 100.87 12.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -94.84 149.75 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.42 137.19 41.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -119.75 107.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.385 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -93.85 118.38 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.511 ' C ' ' H ' ' B' ' 9' ' ' THR . 62.3 p -87.07 142.88 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.484 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.31 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -135.73 -31.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.24 66.72 0.17 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -173.31 139.35 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -124.66 111.34 15.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.47 152.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -117.15 103.69 10.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.391 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.3 mm? -100.01 130.15 46.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.77 92.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 1' ' ' MET . 9.4 m -115.84 171.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.62 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 81.3 mm-40 -122.38 147.67 50.51 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.291 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.07 -25.79 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.968 2.445 . . . . 0.0 112.628 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -95.76 14.18 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.027 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.62 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 34.8 m-20 -82.03 133.62 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -82.24 140.55 33.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -44.14 -53.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -50.52 -34.83 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.05 -49.25 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.231 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -53.4 -39.3 64.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.324 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.78 81.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.479 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -57.16 -36.7 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -67.65 -47.48 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.39 -40.08 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.27 -37.13 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -68.24 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -84.3 -86.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.09 -0.75 0.05 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -72.04 132.38 84.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 0.0 110.456 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.54 143.31 34.16 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.717 2.278 . . . . 0.0 111.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -64.62 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.865 2.376 . . . . 0.0 112.0 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 5.3 m-20 -38.03 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 38' ' ' PRO . 66.2 mm-40 -104.69 53.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -149.21 138.58 21.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.65 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -138.5 97.05 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 12.6 mt -87.43 134.09 33.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.45 144.83 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.1 t80 -131.85 179.64 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.1 -35.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -78.17 -87.65 0.43 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -157.15 -145.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 6.6 tp-100 -80.33 137.69 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.68 123.86 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.19 159.43 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 121.37 23.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 133.33 -70.2 0.52 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.3 mmt180 -44.42 170.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.554 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -113.45 173.07 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.583 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -73.32 3.1 6.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -93.76 -27.73 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.9 -39.03 72.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.616 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -85.16 8.75 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m120 54.79 40.12 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 mt -86.44 113.35 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.44 -158.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -86.43 159.33 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 57.69 22.27 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -77.08 133.29 39.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -88.29 112.36 22.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.69 122.55 45.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -76.3 103.26 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.12 111.27 22.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.36 137.52 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mt -85.56 165.52 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -109.5 73.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.47 174.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -45.48 119.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.28 -41.41 9.3 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.956 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.563 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.46 104.16 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -96.92 151.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.757 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.15 152.64 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.51 100.0 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.251 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.19 125.12 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.493 ' C ' ' H ' ' C' ' 9' ' ' THR . 82.1 p -85.43 155.67 21.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 43.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.493 ' H ' ' C ' ' C' ' 7' ' ' THR . 1.3 m -150.24 -32.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.62 -54.55 0.54 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -40.16 140.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -132.86 116.23 16.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.67 165.77 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.671 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.35 106.24 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.19 136.69 46.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.98 105.09 17.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.272 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.3 m -127.3 170.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.521 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.2 mm-40 -119.43 177.23 1.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.097 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.57 -25.28 12.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.69 2.26 . . . . 0.0 112.051 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -92.38 4.81 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 17.2 m-20 -74.95 137.34 41.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -87.18 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.465 HG21 HD13 ' C' ' 23' ' ' ILE . 31.0 mm -44.24 -52.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.435 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -47.94 -40.44 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.265 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -62.48 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.05 -48.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.308 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.25 83.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -56.12 -41.79 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.317 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.37 -42.13 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.489 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.54 -33.01 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.49 -32.13 62.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -75.52 -64.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.76 -95.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.559 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.07 17.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 43.0 mt -85.69 110.8 32.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.591 0.234 . . . . 0.0 110.464 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.84 137.9 12.23 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.601 2.201 . . . . 0.0 111.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.29 -57.35 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.762 2.308 . . . . 0.0 112.074 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.457 ' O ' ' CZ ' ' C' ' 72' ' ' ARG . 13.8 t70 -46.08 -38.87 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.7 -35.81 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 90.7 mt-30 -57.31 150.64 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.664 ' NH2' ' HG1' ' A' ' 516' ' ' THR . 44.6 ttt180 -150.27 104.85 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.19 115.21 24.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -117.07 126.54 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -143.75 145.22 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 38.35 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.2 51.51 58.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -168.42 132.71 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.89 138.0 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.73 119.98 26.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.58 158.18 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 161.59 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.606 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.19 -66.37 3.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.7 mmt180 -40.95 164.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.46 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.6 p -114.8 160.18 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.44 -1.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.46 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.84 -15.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -81.9 -30.56 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.61 6.49 48.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . 0.535 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 6.8 m120 61.87 14.12 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.77 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -57.62 115.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 17.0 mp0 -87.74 -161.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.672 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -86.42 159.35 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.735 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 56.28 24.35 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -78.93 135.55 36.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.499 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -83.46 126.52 32.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.49 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -72.51 100.61 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.04 126.44 33.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.466 HG11 ' H ' ' C' ' 71' ' ' LEU . 0.8 OUTLIER -138.73 176.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.482 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.466 ' H ' HG11 ' C' ' 70' ' ' VAL . 15.5 mt -94.94 163.83 13.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.611 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . 0.457 ' CZ ' ' O ' ' C' ' 39' ' ' ASP . 45.0 ttp85 -129.03 156.03 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -173.89 119.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -54.7 176.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.81 179.5 38.76 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 25.0 mm -53.44 -36.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 494' ' ' GLY . 18.5 tp -52.39 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.59 -39.79 4.72 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.12 -38.84 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -60.53 -48.02 88.26 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.54 -9.61 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.51 -48.35 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 1.2 m-85 -66.35 6.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -78.57 11.57 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -64.86 -96.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 34.3 t -158.28 75.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mttp 42.64 79.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -94.1 131.75 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -6.05 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -81.45 -37.61 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.01 -60.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.078 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.3 -22.86 66.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.8 -34.1 76.13 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.8 tp -113.03 -38.73 4.41 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 3.8 mm? -66.95 -60.5 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.902 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.617 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 0.3 OUTLIER -40.51 -60.41 1.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.61 -57.21 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.299 1.999 . . . . 0.0 111.609 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 512' ' ' ILE . 67.5 mt -53.47 -11.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -106.36 -8.82 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.62 43.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 511' ' ' PRO . 6.2 p -69.65 -56.98 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.136 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.7 OUTLIER -172.73 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -171.4 90.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -120.76 149.95 51.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.66 121.22 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.817 2.345 . . . . 0.0 111.937 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.7 pt -64.72 4.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 519' ' ' PRO . 45.2 mt-10 -74.84 -61.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 p -82.29 -45.07 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.65 -38.1 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.72 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 19.9 mtt -59.01 -49.56 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.5 -56.89 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.7 t -51.12 -53.7 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 13.9 tp -49.58 -38.09 30.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.18 -46.48 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.96 -65.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.54 -31.32 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 535' ' ' VAL . 81.0 t -75.11 -69.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -74.3 20.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -51.55 -31.33 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.28 -96.68 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 5.7 t -58.2 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.477 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.0 p -152.51 170.37 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 13.5 m-80 -158.23 145.38 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.95 50.45 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.72 -46.17 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.05 -36.94 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.3 m -66.27 -53.91 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.9 p -56.63 -27.56 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -59.42 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.293 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -29.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.4 mmt -74.56 -55.46 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -39.42 -41.02 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -69.69 -52.54 24.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.655 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.74 -29.27 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.9 mp -75.87 -53.99 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -48.54 -11.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.516 ' H ' ' C ' ' A' ' 551' ' ' LEU . 24.5 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.746 0.308 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.404 ' C ' ' N ' ' A' ' 564' ' ' ARG . 2.1 p-90 -148.2 -12.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 60.1 t -46.38 -21.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.582 ' NE ' ' CZ ' ' A' ' 565' ' ' PHE . 18.1 ptt180 -71.76 -47.31 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CZ ' ' NE ' ' A' ' 564' ' ' ARG . 29.6 m-85 -58.89 -36.58 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.485 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -69.86 -28.03 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.86 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.8 mp -47.87 -31.98 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -76.32 -84.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.4 tp -48.21 -17.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.65 -77.84 0.75 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.43 -5.71 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 16.9 tp -40.96 -63.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -69.6 -166.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.0 ttt -150.62 -78.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -72.33 124.28 9.8 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -78.28 125.82 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -164.39 -157.91 9.84 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.94 -9.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 578' ' ' GLY . 35.5 mt-30 -63.72 -66.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.9 t -46.62 -34.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.26 -73.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.93 -46.64 52.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.3 t -43.29 -66.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 92.1 mt -47.88 -47.69 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.75 -43.78 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.0 m -56.34 -51.15 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . 0.449 HG22 HD11 ' A' ' 588' ' ' ILE . 15.9 mm -46.6 -39.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.0 t -63.11 -39.5 94.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.79 -30.2 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.388 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.539 ' CG2' ' H ' ' A' ' 592' ' ' GLU . 16.5 mm -80.06 179.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.539 ' H ' ' CG2' ' A' ' 591' ' ' ILE . 69.7 mt-10 -56.91 -144.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -141.52 73.42 24.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.53 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.058 2.506 . . . . 0.0 112.008 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 34.3 mtt -89.98 16.55 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.6 p -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 47.8 t -43.29 -45.8 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.03 -59.31 5.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.98 -43.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -53.92 -38.78 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.68 -57.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.81 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.7 t -49.61 -33.95 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.16 87.59 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 27.4 p -64.57 -46.96 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.786 0.327 . . . . 0.0 110.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.8 t -80.67 129.69 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.44 -170.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.65 120.64 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.3 148.96 33.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.67 151.6 24.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.97 104.83 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -87.22 128.16 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.646 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.473 ' C ' ' H ' ' B' ' 9' ' ' THR . 13.7 p -102.38 144.04 31.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.494 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 40.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.473 ' H ' ' C ' ' B' ' 7' ' ' THR . 62.3 p -140.38 0.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.64 71.73 1.14 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -174.42 152.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.335 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -143.18 97.57 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 153.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.5 m -129.09 100.37 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 15' ' ' LEU . 9.6 mp -98.83 168.65 9.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -122.58 76.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.185 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -98.16 -162.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.961 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.435 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.2 mt-10 -142.33 177.02 2.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.013 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.09 12.08 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.13 14.68 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.78 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.86 140.08 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.537 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 p -86.93 137.49 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.439 HG23 HD13 ' B' ' 23' ' ' ILE . 23.1 mm -44.15 -51.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.331 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -47.71 -43.89 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.28 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.41 -41.23 93.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.209 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.59 -51.17 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.184 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.18 -44.15 61.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.229 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.26 79.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -54.42 -47.9 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -56.66 -47.05 82.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.21 -30.45 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.25 -43.85 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.19 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.442 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.09 -102.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.53 7.46 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 39.6 mt -69.26 134.83 89.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.17 135.1 22.24 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.561 2.174 . . . . 0.0 111.876 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.97 -39.91 19.99 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.652 2.235 . . . . 0.0 112.021 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.01 7.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.54 ' H ' ' C ' ' B' ' 38' ' ' PRO . 14.8 mt-30 -145.66 63.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -149.08 95.1 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 72' ' ' ARG . 7.0 mtp180 -88.3 103.89 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.18 125.43 39.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mt -125.17 147.06 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 68.8 t80 -136.29 173.44 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.627 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -37.14 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.74 -87.25 0.83 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 37.6 tttm -155.85 -137.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.625 ' NE2' ' N ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -85.01 134.62 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.79 111.16 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.664 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.78 159.24 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.57 165.66 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.61 -63.24 4.44 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 53' ' ' GLY . 33.3 mmt-85 -45.09 173.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -117.1 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.46 -12.23 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.6 p -83.23 -18.13 40.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -84.12 12.53 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -138.67 8.29 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 55.53 34.14 22.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.678 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -81.43 95.97 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.02 -157.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.652 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -84.49 161.72 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.706 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 56.69 37.97 29.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -95.36 133.72 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.55 95.36 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.59 122.76 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.71 143.59 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.226 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 tp -137.3 121.88 18.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.4 132.87 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 9.4 mp -84.67 158.52 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 42' ' ' ARG . 19.5 mmt180 -103.67 61.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' B' ' 73' ' ' LEU . 7.6 mp 56.35 78.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -51.11 -177.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.0 -139.55 6.04 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 117.987 -1.451 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.499 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.23 112.79 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -103.5 149.17 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -102.29 134.64 45.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -120.14 104.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -86.03 138.58 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -109.45 142.25 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' C' ' 9' ' ' THR . 10.8 mt -69.01 59.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 49.7 p -162.23 -5.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 65.55 1.4 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -172.43 125.45 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 14.1 m -108.01 151.45 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -132.64 122.1 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -89.75 118.88 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.1 mt -115.57 130.28 56.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.788 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.14 94.83 8.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.34 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.8 m -121.38 -179.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.781 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.48 170.59 8.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.217 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' C' ' 57' ' ' SER . 3.4 Cg_exo -74.54 -2.0 11.83 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.797 2.331 . . . . 0.0 112.156 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -113.92 -4.57 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -64.05 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -84.95 142.62 29.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.586 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -46.0 -52.86 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.78 -43.01 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.92 -45.98 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.318 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.14 -50.24 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.224 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -52.74 -35.03 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.157 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.42 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -59.43 -37.62 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.71 -36.79 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' C' ' 32' ' ' ASP . 2.7 m-20 -73.35 -29.77 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.4 -57.58 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -93.78 -93.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.44 22.91 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.43 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 67.0 mt -93.01 104.37 11.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.591 0.234 . . . . 0.0 110.514 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.37 138.71 9.98 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.608 2.205 . . . . 0.0 111.926 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.565 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.15 -41.12 21.72 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.79 2.327 . . . . 0.0 111.939 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.24 23.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.565 ' H ' ' C ' ' C' ' 38' ' ' PRO . 23.2 mt-30 -153.25 50.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.8 mt-30 -148.19 176.21 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -171.38 104.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.91 123.0 32.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.52 125.09 73.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.1 t80 -99.28 -114.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -80.16 57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.64 84.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -123.4 132.82 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.91 142.63 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.28 123.33 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.605 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -83.44 157.95 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.6 120.29 21.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 127.66 -67.54 0.55 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 12.6 mmt180 -42.26 167.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -108.47 171.69 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.604 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.33 -12.1 61.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' C' ' 19' ' ' PRO . 1.4 t -83.78 -27.63 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.22 -39.61 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.41 10.51 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.95 30.22 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -80.39 101.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -80.71 -159.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -81.97 161.21 23.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.68 30.15 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -82.89 132.92 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -86.54 140.26 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.35 172.27 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -128.46 137.48 51.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 5.5 tt -107.34 121.2 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.443 ' CG1' ' HG ' ' A' ' 515' ' ' SER . 2.3 t -132.75 157.55 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.401 ' H ' HG13 ' C' ' 70' ' ' VAL . 16.7 mt -102.25 102.68 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.571 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -72.12 159.61 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -171.66 111.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -59.95 145.8 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.76 149.96 6.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 490' ' ' ILE . 14.0 mm -44.41 -56.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.0 mt -46.59 -51.31 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.69 -58.39 6.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.9 mp -49.26 -39.81 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.69 91.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.2 mm -83.74 -12.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.67 -77.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 498' ' ' ALA . 5.5 p90 -85.68 29.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.675 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -39.88 -42.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.439 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -108.91 -177.98 21.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.463 ' O ' ' OG ' ' A' ' 500' ' ' SER . 8.1 p 64.87 100.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.551 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -71.01 52.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.64 ' C ' ' H ' ' A' ' 504' ' ' GLU . 56.5 t-20 -59.0 125.27 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.61 8.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.695 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . 0.64 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.0 tp10 -90.66 -48.61 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.094 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.38 -35.76 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 506' ' ' LEU . 10.2 mp -93.61 -24.17 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.471 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.53 34.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.22 -45.99 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 509' ' ' LEU . 7.9 mp -67.69 -54.11 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.932 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.2 tp -48.96 -58.75 7.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.747 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.14 -49.06 13.42 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.44 2.093 . . . . 0.0 111.634 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.56 -20.97 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.272 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -110.44 20.02 18.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -162.14 20.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.48 ' O ' ' OG1' ' A' ' 516' ' ' THR . 38.6 t -71.66 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.309 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 0.2 OUTLIER -172.23 67.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 516' ' ' THR . 3.0 t70 80.83 109.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.13 155.7 17.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.319 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . 0.508 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.29 107.49 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.827 2.351 . . . . 0.0 111.945 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -74.56 19.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 519' ' ' PRO . 7.9 mp0 -78.8 -30.86 45.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 33.9 p -103.88 -26.1 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.83 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.6 mmt -49.68 -46.99 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.32 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -53.86 -35.05 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.82 -45.3 61.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.22 -45.44 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 532' ' ' HIS . 91.8 mt -69.22 -68.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.615 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.96 -23.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 530' ' ' LEU . 23.8 t60 -72.93 -55.2 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.4 t -70.52 -29.56 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.633 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -101.9 11.32 38.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -44.84 -31.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.82 -84.77 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.6 t -74.68 -173.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.409 ' N ' ' OG1' ' A' ' 537' ' ' THR . 17.8 p -168.79 177.64 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -158.25 172.1 18.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.87 -45.7 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.06 -47.41 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 67.4 mt -49.53 -42.78 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 57.6 m -66.75 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.4 p -39.33 -37.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.415 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 18.2 m -74.05 -53.32 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -29.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 75.4 mmm -71.6 -48.86 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -47.52 -41.83 21.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.406 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.1 -41.76 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.79 -19.34 63.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 553' ' ' ARG . 43.2 tp -87.49 -52.61 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.72 30.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' A' ' 551' ' ' LEU . 11.4 ptp180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.81 0.338 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.58 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 6.2 p-90 -159.77 -62.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.58 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 13.9 p -50.28 -12.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 562' ' ' TRP . 47.8 ttp180 -79.06 -44.27 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -79.61 -40.18 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.87 -55.8 28.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.35 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.648 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.95 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -52.09 -60.6 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.5 tp -45.56 -20.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -82.15 -76.63 1.09 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 574' ' ' TYR . 11.5 mm -44.72 -29.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 44.7 tp -43.69 -21.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 572' ' ' ILE . 38.0 m-85 -118.83 157.36 27.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER -171.46 11.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.565 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -156.05 167.69 33.35 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' A' ' 579' ' ' GLU . 4.3 tp-100 53.2 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.69 86.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 579' ' ' GLU . 20.6 mp0 -83.28 -45.31 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -56.78 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 9.5 p -48.39 -38.83 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 581' ' ' VAL . 13.7 t70 -56.87 -51.28 69.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.28 -37.37 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 17.6 t -58.75 -44.37 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.8 -43.58 81.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.73 -32.12 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 590' ' ' ALA . 22.6 m -70.76 -56.6 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -43.76 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.309 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.9 t -81.89 -32.35 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.317 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -55.81 -27.98 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 68.6 mt -85.11 91.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 43.44 -124.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -170.87 71.84 0.54 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.85 -160.92 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.523 ' C ' ' H ' ' A' ' 597' ' ' SER . 8.4 ptp -90.56 14.33 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.4 t -57.28 -3.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 595' ' ' MET . 73.1 m -42.81 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.476 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -71.75 -51.66 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.1 mt -63.32 -39.85 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -54.8 -54.28 44.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.62 -56.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.0 tp -43.24 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.68 -16.77 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.5 -60.32 5.53 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 35.0 t -58.95 -60.97 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 30.6 m -82.18 122.0 27.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.41 -72.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.585 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.51 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.8 ttp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -80.22 114.42 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.23 150.9 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -108.06 144.91 34.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.619 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -127.45 104.2 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.421 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -85.27 118.99 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.446 ' C ' ' H ' ' B' ' 9' ' ' THR . 72.9 p -88.02 141.91 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 44.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.446 ' H ' ' C ' ' B' ' 7' ' ' THR . 82.0 p -141.76 -18.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.43 65.71 0.52 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -175.17 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -107.61 114.93 29.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.97 145.1 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -117.52 119.62 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.03 138.13 53.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -90.18 114.9 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.334 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 1' ' ' MET . 14.2 m -131.4 -171.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.6 mt-10 -133.79 144.58 52.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -19.57 0.67 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.934 2.423 . . . . 0.0 112.341 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -98.3 12.76 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.645 0.26 . . . . 0.0 111.093 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.6 m-20 -84.58 135.37 34.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' B' ' 24' ' ' GLU . 36.1 p -81.55 145.23 30.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.718 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.9 mm -51.89 -41.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 14.5 pt-20 -55.93 -42.12 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.105 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.5 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.19 -53.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -49.79 -42.22 46.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.145 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -59.69 -45.99 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -56.37 -49.35 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.28 -47.55 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -55.14 -29.39 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.374 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 28' ' ' ALA . 3.7 m-20 -72.41 -42.45 65.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -69.65 -64.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -84.34 -104.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.68 9.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.461 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 42.1 mt -70.51 128.67 90.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.526 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.06 137.1 25.87 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.535 2.157 . . . . 0.0 111.898 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.586 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -42.05 23.43 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.785 2.323 . . . . 0.0 111.929 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.24 8.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' B' ' 38' ' ' PRO . 10.0 mt-30 -144.01 62.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -150.54 132.19 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -129.03 96.95 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.81 127.87 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.48 143.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.435 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.651 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 76.2 t80 -133.12 178.07 7.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.651 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.96 -32.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -82.48 -89.12 0.68 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.421 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 40.9 tttt -153.24 -143.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.421 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 18.6 tt0 -84.7 138.09 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -89.94 133.76 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.5 mp0 -94.74 157.16 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.97 168.56 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 80.53 -71.96 2.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.5 mmt180 -39.98 164.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 73.6 p -111.33 -179.76 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.1 mt -77.35 -3.38 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.456 ' C ' ' H ' ' B' ' 59' ' ' TYR . 13.9 t -87.18 -29.57 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -76.88 20.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.7 m-85 -145.71 6.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 54.63 38.56 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -83.07 98.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -79.8 -163.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -82.17 160.49 23.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.38 169.74 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.332 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -133.33 90.33 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.471 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.72 124.09 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -83.74 105.13 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.4 tp -91.13 130.1 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.673 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.21 133.53 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.37 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.38 155.91 19.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -104.73 70.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.415 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 15.5 mt 62.12 79.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -42.37 124.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.02 -161.43 13.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.547 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.4 ttp . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.832 0.348 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -88.98 116.83 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -117.21 151.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -109.54 142.85 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.65 100.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -83.78 122.03 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -81.55 142.25 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.379 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -71.79 58.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -161.85 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.9 70.61 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -171.82 157.46 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -143.99 107.12 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.01 136.6 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -106.17 123.1 47.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.346 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.52 134.92 48.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -87.19 118.61 26.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.416 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.8 m -138.44 -166.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 39.1 mt-10 -145.45 152.49 49.9 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 -48.57 10.86 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.068 2.512 . . . . 0.0 112.321 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.403 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.8 OUTLIER -57.91 -40.05 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.865 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 5.1 m-20 -39.66 139.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.488 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 6.7 p -94.59 145.23 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 mm -46.49 -52.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.288 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -46.81 -44.04 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.488 ' H ' ' HG1' ' C' ' 22' ' ' THR . 8.6 t30 -58.92 -45.78 89.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.069 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.31 -48.49 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.036 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -53.38 -35.65 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.055 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.62 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.275 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.02 -39.8 87.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.92 -35.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.83 -35.43 81.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -73.67 -28.54 61.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -79.1 -63.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -85.19 -96.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.44 23.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 45.1 mt -97.21 99.43 6.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.694 0.283 . . . . 0.0 110.541 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.22 144.73 4.03 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.645 2.23 . . . . 0.0 111.918 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.589 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.9 Cg_endo -45.7 -46.14 15.53 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.779 2.32 . . . . 0.0 111.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -70.52 29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.589 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.9 mt-30 -156.0 45.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.7 mt-30 -143.32 173.98 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.494 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 23.1 ttm180 -166.06 93.24 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.84 115.24 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -112.21 136.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -143.49 129.0 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.64 28.01 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.63 53.56 8.33 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -165.42 133.49 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' NH1' ' C' ' 42' ' ' ARG . 72.9 mt-30 -79.67 130.26 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -82.82 129.8 35.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 4.1 mp0 -81.34 158.63 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 171.68 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.42 -57.7 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -44.08 146.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 14.8 p -94.76 154.22 17.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -56.19 -16.92 6.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -78.8 -30.97 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.71 -41.0 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -86.65 0.86 53.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' C' ' 60' ' ' ASN . 0.4 OUTLIER 71.28 -1.54 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.731 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' C' ' 60' ' ' ASN . 68.6 mt -40.34 98.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.52 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 11.8 mp0 -80.21 -157.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 158.07 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 59.03 34.81 23.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 37.4 m -85.05 164.06 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.407 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -121.56 98.62 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.6 115.98 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -77.37 98.09 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.39 122.45 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.403 HG13 ' H ' ' C' ' 71' ' ' LEU . 2.4 t -131.24 171.73 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.403 ' H ' HG13 ' C' ' 70' ' ' VAL . 29.5 mt -110.67 166.83 10.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -145.72 159.35 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -159.6 124.72 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -46.96 160.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.88 -113.78 0.66 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.785 0.326 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.1 mm -49.71 -45.76 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.44 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.534 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.71 -49.46 40.58 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -53.27 -45.12 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.48 58.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.0 mm -89.1 -12.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -70.11 -79.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.641 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -77.4 27.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.19 -65.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -106.59 71.19 0.22 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 87.5 p -162.47 93.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -76.69 54.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.531 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 49.9 t30 -72.59 -171.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.531 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -109.51 0.44 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -84.87 -40.74 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.295 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.63 -58.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.369 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.416 ' O ' ' CD ' ' A' ' 511' ' ' PRO . 9.0 mt -78.68 -18.77 53.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.22 -10.0 64.96 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -125.51 -46.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.71 -52.79 33.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.5 tp -51.64 -59.09 8.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.81 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.81 -44.31 22.39 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.383 2.056 . . . . 0.0 111.635 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.66 -26.77 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.314 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -94.1 3.99 54.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -143.21 7.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.597 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.7 t -58.24 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.44 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.569 ' N ' ' HG ' ' A' ' 515' ' ' SER . 0.6 OUTLIER -171.38 -75.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.74 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -137.32 87.09 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 56.1 mt -117.83 149.86 46.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 111.995 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 22.1 pt -67.17 -2.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -73.96 -32.68 63.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 74.6 m -101.77 -45.47 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.3 -43.82 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.11 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.16 -53.86 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.15 -53.18 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 8.5 t -44.54 -45.02 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.16 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.43 -42.0 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.9 -44.58 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -59.55 -48.97 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.662 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.9 t -72.14 -58.85 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 537' ' ' THR . 41.2 m-85 -72.94 14.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -46.99 -31.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -78.9 -79.56 0.79 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.7 t -72.92 -173.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.533 ' N ' ' OG1' ' A' ' 537' ' ' THR . 21.0 p -170.98 170.11 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 14.9 m-80 -156.84 178.79 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.72 -42.98 4.63 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.85 -31.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.662 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.4 -48.12 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.4 m -59.46 -58.96 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.8 p -41.99 -36.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 4.4 m -77.83 -60.33 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.1 OUTLIER -46.19 -28.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.361 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 13.4 mmt -74.28 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -39.08 -32.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -79.32 -48.51 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.2 m-85 -52.91 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 7.0 mp -67.16 -50.51 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 516' ' ' THR . 62.8 mt-10 -72.81 33.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 551' ' ' LEU . 28.3 ptt-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.422 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 56.2 p-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 12.2 p-90 -158.95 -52.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.602 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.4 p -47.89 -20.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.01 -47.28 62.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.65 -46.06 89.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.5 mp -61.35 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -61.04 -63.03 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -60.66 -70.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 51.4 tp -44.69 -22.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.8 -77.46 0.94 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 10.3 tp -50.39 -24.59 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.49 -61.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -88.79 179.99 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.8 ttt -173.42 -75.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -62.16 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 53.86 -140.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 164.36 -80.37 0.12 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -47.0 -41.88 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -48.5 -50.45 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 584' ' ' VAL . 90.6 t -53.69 -53.44 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -40.01 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.31 -41.89 85.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 581' ' ' VAL . 44.6 t -60.25 -48.18 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.64 -38.47 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.49 -35.59 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.498 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 590' ' ' ALA . 7.0 m -63.17 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.515 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 13.0 tt -41.45 -30.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -82.55 -35.9 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.342 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.71 -20.42 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.22 138.67 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -43.61 149.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.453 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 33.8 m170 55.37 81.08 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.42 49.37 2.05 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.853 2.369 . . . . 0.0 112.095 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.46 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.1 tpt -67.76 -22.15 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 599' ' ' ILE . 16.9 p -62.83 -0.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 595' ' ' MET . 8.0 t -37.88 -38.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.71 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 596' ' ' THR . 11.5 mm -59.56 -47.87 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.62 -36.91 25.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.45 -27.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.0 tp -74.97 -56.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -30.35 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.26 59.74 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.0 t -69.39 -27.12 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.487 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 85.5 m -141.55 119.76 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.18 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 608' ' ' TYR . 24.8 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.551 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.0 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -89.01 129.67 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 pt -135.44 144.39 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.595 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -97.05 142.93 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.78 106.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -88.27 127.38 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.68 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.553 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.0 p -94.58 145.04 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.347 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.29 39.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.553 ' H ' ' C ' ' B' ' 7' ' ' THR . 76.1 p -146.63 5.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.53 76.25 1.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -173.89 116.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -102.15 126.62 49.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -114.65 136.5 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.745 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.8 m -105.46 114.6 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.23 132.96 53.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -91.86 75.1 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 1' ' ' MET . 11.5 m -98.25 -165.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.765 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.2 mt-10 -139.22 178.85 1.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.15 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.88 -28.25 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.835 2.357 . . . . 0.0 112.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.425 ' H ' ' HG ' ' B' ' 20' ' ' SER . 1.0 OUTLIER -91.68 19.41 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.63 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.61 131.32 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 2.4 p -83.41 143.79 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.578 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.413 HD11 HG21 ' B' ' 23' ' ' ILE . 31.2 mm -45.84 -47.71 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -50.57 -47.46 57.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.419 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.5 m-20 -58.29 -42.1 85.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.331 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.78 -54.45 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -50.69 -34.0 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.252 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.404 ' O ' ' OD2' ' B' ' 32' ' ' ASP . . . -65.18 -48.94 71.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -57.35 -36.1 70.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.02 -43.01 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.06 -34.93 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.398 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' B' ' 28' ' ' ALA . 27.4 m-20 -71.88 -33.95 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -71.57 -56.96 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -95.74 -83.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.1 6.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 58.7 mt -75.89 112.68 21.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.648 0.261 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.97 138.14 12.49 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.664 2.243 . . . . 0.0 111.818 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.26 -62.36 0.46 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.845 2.364 . . . . 0.0 111.952 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -39.9 -34.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -96.11 60.32 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 64.6 mt-30 -155.77 114.23 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.437 ' HE ' ' HE ' ' B' ' 72' ' ' ARG . 97.3 mtt180 -109.54 102.09 10.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.0 mt -88.21 125.06 34.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -116.51 140.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' B' ' 47' ' ' GLY . 86.2 t80 -163.51 160.85 23.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.439 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . 64.73 -66.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 178.62 13.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 13.9 tttm -152.65 -174.01 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 67.4 mt-30 -93.92 154.16 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.4 129.22 39.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -80.13 150.67 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.603 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -77.43 99.45 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 152.52 -61.33 0.39 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.9 mmt-85 -46.33 169.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -112.57 163.09 14.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.49 -2.99 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -93.6 -14.27 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.615 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -83.15 -34.46 26.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -89.04 13.52 12.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 m120 55.32 29.35 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -76.91 104.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.67 -157.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.26 159.96 24.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.662 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.6 34.09 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -89.71 123.92 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.4 m -95.44 103.11 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.409 HD13 ' H ' ' B' ' 67' ' ' LEU . 0.8 OUTLIER -102.47 143.76 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -87.06 157.83 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.333 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.2 tt -144.88 122.31 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.14 117.69 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.389 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 133.82 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.64 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.437 ' HE ' ' HE ' ' B' ' 42' ' ' ARG . 83.6 mtt180 -66.42 85.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 12.5 mt 58.79 170.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.04 120.47 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.05 -74.35 1.14 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.828 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -113.33 116.89 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.84 153.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.705 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -112.05 154.24 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -130.16 103.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.126 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -92.17 134.88 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.754 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 7.1 p -103.93 158.97 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' C' ' 8' ' ' LEU . 4.4 mm? -71.06 50.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.514 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 62.6 p -151.6 1.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.74 77.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -83.95 151.48 25.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -141.11 136.76 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.48 125.36 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -96.03 119.99 35.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.63 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -88.17 125.89 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -143.28 -171.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.418 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.9 mt-10 -134.22 176.04 3.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.212 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.33 -25.26 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.788 2.325 . . . . 0.0 112.009 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -87.63 -5.06 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.699 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.64 135.75 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.617 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.7 p -89.69 153.42 20.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.746 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.438 HD12 HG23 ' C' ' 23' ' ' ILE . 28.2 mm -53.69 -46.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -53.35 -41.03 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.424 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 2.9 m-20 -62.43 -46.59 87.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.246 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.66 -51.89 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.264 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -52.12 -36.25 50.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.124 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.76 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.185 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -59.88 -37.5 79.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -68.02 -31.22 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.36 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 44.9 tp60 -70.04 -34.7 73.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.46 -24.29 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -86.27 -67.18 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -78.41 -90.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.55 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.528 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 53.4 mt -88.08 108.86 23.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.654 0.264 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.47 137.26 11.42 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.65 2.233 . . . . 0.0 111.905 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -53.72 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.789 2.326 . . . . 0.0 111.974 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.44 -0.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.739 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' C' ' 38' ' ' PRO . 15.6 mm100 -126.46 50.33 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.1 mt-30 -147.97 168.72 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' C' ' 42' ' ' ARG . 3.3 tpm_? -162.86 114.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.3 114.5 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.534 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -112.68 142.56 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -147.68 125.83 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.15 33.51 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.05 37.12 50.25 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -140.91 115.14 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -78.11 134.09 37.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.14 126.77 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -76.65 158.12 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.24 99.29 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.21 -57.94 0.45 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -45.27 169.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.475 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 17.8 p -112.92 163.22 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.8 -8.11 26.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.475 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 59.4 p -87.6 -25.77 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.623 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.41 -41.24 80.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -86.09 11.18 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.431 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 55.86 20.36 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.95 99.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -81.28 -172.46 3.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.3 160.18 32.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.48 29.81 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -91.58 110.32 21.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.33 131.04 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -82.28 101.66 10.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -83.97 127.46 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.3 172.28 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' C' ' 71' ' ' LEU . 3.8 mm? -95.74 167.36 11.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.377 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -136.79 162.41 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -175.99 110.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -66.41 152.7 44.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.47 148.99 8.4 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.21 -16.51 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.77 -68.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.75 99.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.1 tp -58.4 -46.17 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.566 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.41 -37.32 65.72 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 68.1 mt -91.91 -8.46 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -71.14 -68.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.535 ' C ' ' H ' ' A' ' 499' ' ' GLY . 50.1 p90 -74.26 23.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -57.97 -2.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -70.09 -127.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.0 t -84.17 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.315 . . . . 0.0 110.535 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -160.8 92.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -57.21 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -172.8 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -75.31 -23.7 57.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.77 -65.19 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.323 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 7.2 mt -71.54 -20.12 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -74.58 -6.87 78.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 36.8 tp -128.06 -48.92 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.03 -45.15 74.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 2.7 tp -59.19 -58.82 16.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.22 -42.46 21.77 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.466 2.111 . . . . 0.0 111.586 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.72 -34.84 66.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.17 18.72 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.9 26.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.1 OUTLIER -72.71 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.404 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.5 OUTLIER -170.93 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 6.8 p-10 -158.52 -95.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.574 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 14.9 mt 59.32 147.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.13 169.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.776 2.317 . . . . 0.0 111.953 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.2 mt -96.98 -50.98 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.56 -36.73 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.617 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 20.6 p -72.91 -68.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.34 -31.52 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.35 -66.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.7 tpt -46.45 -39.47 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.58 -59.5 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' A' ' 528' ' ' LEU . 56.3 p -46.21 -36.46 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 527' ' ' SER . 1.3 tt -58.97 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.25 89.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -53.64 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -66.55 -50.95 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -41.62 -54.86 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.1 t -67.54 -56.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -76.89 27.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.4 p -64.89 -36.63 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -60.56 -90.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.9 t -67.86 -169.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 42.6 t -167.83 171.96 9.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.551 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 68.8 m-80 -160.44 165.12 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.23 -35.85 28.94 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -47.4 -42.81 22.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.59 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.43 -43.15 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 86.9 m -65.48 -66.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 80.5 p -39.99 -35.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.427 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 11.5 m -76.21 -55.88 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.314 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -32.21 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.403 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -68.18 -57.72 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -40.65 -38.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -48.7 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -47.46 -53.33 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.442 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.57 -42.19 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.506 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -87.4 30.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.772 0.32 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.491 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 8.6 p-90 -156.07 -50.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 20.3 t -42.05 -44.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 567' ' ' ALA . 69.9 mtp180 -45.68 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -40.29 -62.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 9.7 mp -43.46 -27.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.512 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 564' ' ' ARG . . . -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 568' ' ' LEU . 11.0 mp -50.98 -45.64 61.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.64 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.9 tp -43.66 -25.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.542 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.21 -70.35 1.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.66 -8.92 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 110.532 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.52 -20.8 14.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -116.52 162.12 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 77.6 mtp -83.35 22.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 83.92 -71.01 3.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.12 143.14 34.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 142.33 116.06 1.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -45.97 -25.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -44.73 -48.47 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.83 -44.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -47.35 -43.82 23.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.98 -48.15 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 65.0 t -44.65 -53.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 53.0 mt -57.13 -47.75 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.69 -36.05 34.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 590' ' ' ALA . 13.6 m -63.69 -51.54 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 95.1 mt -48.85 -28.7 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 39.5 t -81.01 -26.54 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -74.3 -26.39 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.3 tp -102.66 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 591' ' ' ILE . 36.2 mt-10 -53.73 -110.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.647 ' HD1' ' H ' ' A' ' 593' ' ' HIS . 0.7 OUTLIER 39.83 75.72 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.21 10.45 1.78 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.011 2.474 . . . . 0.0 111.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.3 mmt -95.58 -33.62 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.2 p -63.27 -13.89 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.4 p -43.18 -44.29 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.13 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.22 -40.21 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -55.04 -34.46 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.34 -51.81 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.46 -69.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.584 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 7.3 t -54.67 -28.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.2 -54.89 32.46 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 11.2 t -64.48 -68.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 69.1 m -82.25 118.92 23.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.18 -82.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.575 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -96.17 115.82 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.07 148.44 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.439 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 78.6 m-85 -105.08 129.98 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.11 99.83 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -76.85 119.92 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.658 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -91.66 141.95 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -28.58 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -64.5 -36.47 84.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.75 70.54 0.2 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -175.94 122.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.6 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -97.73 111.82 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -96.34 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.439 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 3.4 m -101.06 122.88 44.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.184 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -126.5 137.61 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -86.53 112.75 21.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.8 -178.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.457 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 1.1 mt-10 -126.82 176.94 2.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.258 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.92 -26.29 11.24 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.762 2.308 . . . . 0.0 112.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.491 ' H ' ' HG ' ' B' ' 20' ' ' SER . 1.4 p -88.13 -0.46 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.4 m-20 -71.01 134.82 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -87.52 146.87 25.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.426 HG22 HD11 ' B' ' 23' ' ' ILE . 25.0 mm -48.37 -59.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -43.83 -36.01 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.76 -47.18 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.194 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.91 -47.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.24 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -54.97 -36.18 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.19 -50.91 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.86 -40.72 69.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.356 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.466 HD11 HG22 ' B' ' 30' ' ' ILE . 8.5 mt -63.1 -48.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.51 -38.81 60.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.491 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -75.22 -62.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -85.45 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.87 6.18 0.03 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.452 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 33.7 mt -79.81 132.01 62.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.607 0.241 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.71 143.23 33.44 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.629 2.219 . . . . 0.0 111.961 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.703 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.37 -50.56 10.05 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.865 2.377 . . . . 0.0 111.959 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 39' ' ' ASP . 0.8 OUTLIER -62.49 21.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.703 ' H ' ' C ' ' B' ' 38' ' ' PRO . 62.8 mt-30 -153.23 46.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -146.58 133.17 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -126.2 108.54 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.88 115.2 27.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.22 142.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -167.51 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.576 ' C ' ' H ' ' B' ' 48' ' ' LYS . . . -69.27 57.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 -4.94 0.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.576 ' H ' ' C ' ' B' ' 46' ' ' ALA . 34.6 mtpt -153.21 -166.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.65 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -92.99 145.41 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.31 131.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.72 158.65 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -75.88 125.27 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 125.36 -62.64 0.59 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.7 mmt180 -42.98 168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.517 ' C ' ' H ' ' B' ' 57' ' ' SER . 21.4 p -116.83 157.76 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.01 -0.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.517 ' H ' ' C ' ' B' ' 55' ' ' THR . 3.8 t -94.48 -35.95 12.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -38.92 88.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -87.0 4.81 40.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 60.0 26.57 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.651 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.5 97.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OG ' ' B' ' 65' ' ' SER . 36.4 mt-30 -72.55 -159.02 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -87.7 162.13 17.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 30.05 17.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.784 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 62' ' ' GLN . 1.4 m -83.01 131.85 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.37 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -94.78 105.24 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.27 174.89 7.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.427 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.43 100.87 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -85.59 132.84 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.03 106.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.569 ' H ' ' CD2' ' B' ' 71' ' ' LEU . 1.4 pt? -75.89 164.81 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -69.47 -109.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.456 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.427 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 42.1 mt -133.22 129.69 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -50.76 152.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.8 -98.79 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.931 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.21 110.45 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -106.5 153.2 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -109.84 153.19 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.692 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -131.95 101.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.22 136.78 33.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 53.7 p -102.01 142.04 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' C' ' 9' ' ' THR . 10.8 mp -68.83 64.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' C' ' 8' ' ' LEU . 7.2 m -166.2 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.15 68.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -173.02 131.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -116.75 119.71 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -101.48 124.75 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 35.4 m -92.4 126.24 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.26 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.84 130.94 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.79 119.7 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.214 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.4 m -140.15 -161.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.43 ' C ' ' SD ' ' C' ' 1' ' ' MET . 1.6 mt-10 -143.73 175.4 2.86 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.85 11.36 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.744 2.296 . . . . 0.0 112.111 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' C' ' 20' ' ' SER . 0.2 OUTLIER -88.84 2.59 53.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.69 137.56 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.509 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 6.8 p -87.49 142.74 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.428 HG22 HD12 ' C' ' 23' ' ' ILE . 23.5 mm -48.23 -50.6 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.09 -37.44 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.509 ' H ' ' HG1' ' C' ' 22' ' ' THR . 6.3 t30 -65.19 -43.99 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.295 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.59 -50.05 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -53.12 -41.49 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.253 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.83 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.261 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.25 -41.09 92.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.298 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.11 -38.91 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.82 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.78 -27.96 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -78.59 -63.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.0 -102.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.28 8.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 51.7 mt -82.11 129.97 61.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.68 0.276 . . . . 0.0 110.482 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.59 143.63 34.5 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.597 2.198 . . . . 0.0 111.939 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' C' ' 39' ' ' ASP . 2.7 Cg_endo -46.07 -67.04 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.846 2.364 . . . . 0.0 112.17 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' C' ' 38' ' ' PRO . 6.8 m-20 -35.41 -41.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.91 -45.06 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' C' ' 38' ' ' PRO . 73.3 mt-30 -46.37 168.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -170.08 99.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 mt -83.15 122.97 29.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.74 132.73 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' C' ' 48' ' ' LYS . 70.5 t80 -132.58 135.83 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' C' ' 48' ' ' LYS . . . 44.15 43.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.52 -13.12 1.69 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' C' ' 46' ' ' ALA . 5.9 mtpm? -85.59 110.34 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -70.57 126.14 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.49 141.65 34.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -101.32 159.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.576 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.91 145.39 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 105.18 -58.67 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 53' ' ' GLY . 15.8 mmt180 -47.62 177.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.595 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.414 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 61.7 p -121.19 163.77 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.84 -7.23 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.414 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 13.0 p -88.72 -39.12 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.0 -39.19 71.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.21 -3.51 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.65 17.51 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.53 97.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -73.75 -172.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.86 159.32 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 60.65 28.94 18.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.1 m -84.75 126.87 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -88.29 100.0 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.4 125.23 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.23 107.48 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.44 129.34 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.498 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.6 t -141.63 174.95 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.604 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.498 ' H ' HG12 ' C' ' 70' ' ' VAL . 24.4 mt -113.73 149.68 34.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -108.18 158.82 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -173.21 98.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -69.31 176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.82 -148.72 5.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.798 0.332 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.0 mm -47.51 -46.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 34.9 tp -50.87 -45.96 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.12 -56.07 23.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.6 mp -47.96 -48.1 32.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.52 -37.6 26.49 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 67.3 mt -82.73 -12.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.28 -53.08 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . 0.518 ' C ' ' H ' ' A' ' 499' ' ' GLY . 13.5 m-85 -57.07 -20.92 27.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -65.85 5.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -87.38 -97.66 0.88 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.8 t -94.89 -18.94 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 6.3 ttpm? 58.64 80.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.506 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.548 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 5.9 t-20 -86.43 -166.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.548 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 24.8 t70 -99.33 6.87 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.77 -33.09 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 110.153 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.9 t -47.88 -62.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.78 -9.93 57.21 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 33.8 tp -129.41 -44.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.5 -52.25 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.618 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.4 tp -50.0 -59.87 6.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.857 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.618 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.6 -51.81 8.41 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.45 2.1 . . . . 0.0 111.614 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.19 -23.11 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.88 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.594 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -168.4 24.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.7 OUTLIER -69.95 -48.29 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.41 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.8 m -169.93 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -173.9 31.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.72 151.11 1.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.78 150.2 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.794 2.329 . . . . 0.0 111.932 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -69.28 -4.36 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.71 -78.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -39.8 82.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.407 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -44.02 -55.83 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.08 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 528' ' ' LEU . 21.6 mmt -41.82 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -42.87 -58.08 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 14.8 m -51.5 -30.33 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.42 ' CB ' ' O ' ' A' ' 525' ' ' MET . 1.8 tt -58.69 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.11 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 2.0 tt -56.28 -68.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.4 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -44.84 -45.09 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 535' ' ' VAL . 89.3 t -76.37 -64.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -73.21 29.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.1 p -54.18 -29.12 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -96.86 -74.78 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.48 109.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.79 -178.26 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 52.3 t-20 -171.53 151.77 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.6 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -65.68 -45.48 88.86 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.493 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 59.3 m-20 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.512 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.81 -51.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 544' ' ' THR . 61.6 m -60.85 -67.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 543' ' ' THR . 50.8 p -38.13 -44.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' B' ' 73' ' ' LEU . 11.2 m -67.13 -52.62 39.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -26.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -68.37 -49.1 62.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.43 -43.21 67.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.62 -34.35 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.79 -30.81 61.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 553' ' ' ARG . 1.1 tt -62.38 -55.37 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -74.01 21.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 551' ' ' LEU . 47.1 ttp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 179.09 -6.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -16.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.613 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -66.66 -75.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -48.92 -43.34 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.29 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.74 -51.99 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 571' ' ' GLY . 15.8 tp -46.01 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -41.4 -71.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.01 -21.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 568' ' ' LEU . . . -80.72 -74.18 1.14 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 pt -58.28 -11.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.85 -66.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.5 121.75 16.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 75.1 mtp -50.78 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -168.77 53.69 0.21 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -67.49 -140.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -161.95 -72.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.36 -28.8 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.514 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.3 -45.66 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.8 -48.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.08 -39.62 28.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.88 -44.65 84.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.77 -59.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.71 -46.39 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . 0.493 ' OE1' ' ND1' ' B' ' 68' ' ' HIS . 4.6 tm-20 -57.59 -36.9 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' B' ' 68' ' ' HIS . 26.8 m -65.78 -53.17 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -46.99 -29.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 68.8 m -75.5 -39.99 57.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.64 48.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 69.6 mt -103.34 78.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 55.86 -139.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.604 ' N ' ' HD1' ' A' ' 593' ' ' HIS . 0.6 OUTLIER -169.73 73.31 0.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.649 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.64 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.964 2.443 . . . . 0.0 112.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 52.8 mtp -84.41 18.93 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -74.82 -13.64 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 30.2 t -41.96 -45.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.53 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.38 -33.56 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -59.04 -38.47 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.01 -32.11 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -67.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.26 -30.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.79 -51.92 54.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 79.8 p -54.8 -46.13 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.64 119.86 23.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 173.53 -174.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.509 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.439 ' O ' ' OE1' ' B' ' 64' ' ' GLU . 78.0 mt-30 -91.13 106.6 18.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -101.02 150.42 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.41 140.42 37.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.67 102.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.251 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -83.93 119.26 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -91.58 142.17 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -24.52 63.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.501 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -77.23 0.81 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.28 79.35 0.99 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -172.6 113.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.7 m -94.28 118.54 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.9 136.85 43.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.642 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -104.87 121.08 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.5 133.93 47.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -81.51 124.73 29.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.449 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' B' ' 1' ' ' MET . 8.7 m -147.59 176.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.59 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 21.1 mt-10 -133.3 152.78 80.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.337 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 -34.54 10.01 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.889 2.392 . . . . 0.0 112.188 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -35.09 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.712 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.0 m-20 -42.54 138.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 25' ' ' ASN . 5.4 p -93.77 140.46 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mm -41.53 -49.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -52.61 -39.81 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' B' ' 22' ' ' THR . 21.9 t-20 -61.66 -45.92 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.07 -50.81 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -49.91 -42.11 47.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.91 92.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.38 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -56.14 -41.86 76.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.88 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.69 -32.34 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -76.32 -30.08 57.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -76.16 -61.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.08 -79.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.495 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.85 -0.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -70.9 126.52 92.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.37 142.06 32.81 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.588 2.192 . . . . 0.0 111.898 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.9 Cg_endo -46.22 -56.63 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.799 2.332 . . . . 0.0 111.995 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.13 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.575 ' H ' ' C ' ' B' ' 38' ' ' PRO . 80.3 mm-40 -127.14 65.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.537 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -151.73 152.19 32.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -145.56 102.12 3.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.519 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 14.1 mt -97.26 128.02 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.7 mt -123.54 141.9 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.652 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.4 t80 -130.75 177.39 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.652 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -33.76 -38.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -75.85 -90.13 0.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.455 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 49.7 tttt -153.61 -141.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.455 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 9.2 tp-100 -84.21 132.49 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.457 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.71 125.74 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -83.5 159.78 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.92 159.82 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.14 -59.97 4.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 53' ' ' GLY . 11.5 mmt180 -42.86 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.603 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.552 ' C ' ' H ' ' B' ' 57' ' ' SER . 30.8 p -116.43 158.48 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.49 2.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.552 ' H ' ' C ' ' B' ' 55' ' ' THR . 38.4 t -96.38 -29.4 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -72.08 4.66 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' B' ' 57' ' ' SER . 76.7 m-85 -131.49 8.37 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 55.98 24.77 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.653 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.92 102.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -83.2 -162.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -80.54 157.38 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 2' ' ' GLN . 5.7 mm-40 60.1 25.73 15.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -82.05 131.67 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.11 121.41 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.22 120.69 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.493 ' ND1' ' OE1' ' A' ' 586' ' ' GLU . 0.2 OUTLIER -76.12 104.19 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.77 134.85 36.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.37 140.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 8.6 mp -83.68 134.38 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HE ' ' NE2' ' B' ' 40' ' ' GLN . 54.5 ttm-85 -42.7 -66.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 545' ' ' SER . 56.3 tp -174.3 88.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.493 ' NH2' ' OD1' ' A' ' 541' ' ' ASP . 35.0 ttp85 -93.03 81.88 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.89 -119.27 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 117.949 -1.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.578 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -114.38 107.36 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.38 152.75 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -111.68 149.71 31.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.25 103.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.319 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -83.38 147.14 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' THR . . . . . 0.514 ' C ' ' H ' ' C' ' 9' ' ' THR . 15.3 p -125.6 146.74 49.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -70.77 42.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' THR . . . . . 0.514 ' H ' ' C ' ' C' ' 7' ' ' THR . 49.2 p -151.47 33.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.61 71.73 0.65 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -169.61 126.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 11.8 m -121.41 115.6 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -96.09 134.71 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -100.73 125.79 47.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.388 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -130.46 132.01 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.745 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.03 123.03 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -145.53 -174.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 7.0 mt-10 -138.76 147.79 55.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.294 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.8 -14.16 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.833 2.355 . . . . 0.0 112.252 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -92.69 -23.96 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -49.32 141.29 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.343 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.491 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.0 p -95.93 134.96 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.7 mm -35.57 -56.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -46.74 -43.89 18.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' C' ' 22' ' ' THR . 0.4 OUTLIER -59.68 -43.76 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -51.29 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.154 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -52.53 -33.39 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.98 73.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.378 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -59.1 -35.69 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 mt -68.91 -45.95 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -57.71 -31.5 66.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -75.96 -32.12 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -73.96 -51.85 14.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -97.99 -107.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.33 18.99 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 10.4 mt -94.15 103.28 10.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.28 147.35 2.45 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.587 2.192 . . . . 0.0 111.849 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.98 -67.38 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.829 2.352 . . . . 0.0 112.06 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' C' ' 40' ' ' GLN . 6.6 p30 -42.47 -29.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . 0.481 ' N ' ' OD1' ' C' ' 39' ' ' ASP . 59.6 mm-40 -95.09 53.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 64.4 mt-30 -154.06 161.76 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 66.8 ttt180 -158.55 104.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.75 131.07 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 58.3 mt -128.14 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.525 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -142.41 128.89 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.32 10.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.65 40.22 15.69 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -147.06 125.21 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 13.5 tt0 -70.89 135.94 48.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.81 117.94 29.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -72.59 157.98 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -83.3 163.89 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.09 -33.63 3.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -77.06 169.88 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.456 ' HG1' ' CG ' ' C' ' 58' ' ' ASP . 22.9 p -108.97 164.25 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.17 -35.6 75.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -66.62 -18.3 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . 0.456 ' CG ' ' HG1' ' C' ' 55' ' ' THR . 8.2 m-20 -77.67 4.03 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.637 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -133.63 12.66 4.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 64.48 9.31 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.78 99.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.65 -158.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.676 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -85.71 159.09 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 53.86 30.16 11.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 43.1 m -78.53 129.95 35.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 30.4 m -89.84 99.23 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -80.98 168.61 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -121.78 103.03 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.3 135.1 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.08 153.84 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -110.82 104.63 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.7 179.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp -171.35 147.15 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -56.29 161.43 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.26 -143.07 3.56 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 97.2 mt -50.11 -23.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -57.15 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.5 -30.58 56.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.08 -51.45 64.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.54 -34.64 49.84 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 76.3 mt -76.11 -20.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.91 -39.64 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.55 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -100.39 41.48 2.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 6.4 t -161.52 -66.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.1 tttt 65.74 65.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.8 t-20 -91.59 -168.49 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.654 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' ASP . . . . . 0.529 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 2.8 p-10 -106.66 -12.49 15.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -78.27 -20.26 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.268 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.7 -45.67 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.48 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.43 -18.97 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.71 -11.95 69.81 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.37 -44.12 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 110.672 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.51 -54.88 10.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.2 tp -47.42 -58.65 6.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.421 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.68 -50.33 11.76 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.417 2.078 . . . . 0.0 111.455 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' CD2' ' A' ' 518' ' ' LEU . 60.9 mt -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.234 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -111.89 18.04 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.425 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . 178.86 70.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.488 -175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 52.0 p -148.8 12.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 73.92 104.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 35.1 t0 62.81 115.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.424 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 512' ' ' ILE . 0.8 OUTLIER -167.14 156.84 9.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.07 129.98 8.1 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.91 2.407 . . . . 0.0 112.029 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.6 tt -79.93 -13.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 523' ' ' ALA . 30.1 mt-10 -74.08 -74.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.626 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 80.2 p -64.39 2.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.702 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -69.24 -68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -62.75 -55.6 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.6 mtt -43.28 -44.84 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 528' ' ' LEU . . . -57.99 -59.74 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 28.5 p -48.92 -15.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 526' ' ' ALA . 1.3 tt -78.48 -58.06 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.93 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.654 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.34 -75.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -39.65 -41.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.73 -49.45 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' VAL . . . . . 0.542 ' C ' ' H ' ' A' ' 535' ' ' VAL . 74.7 t -76.54 -59.42 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.649 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -67.52 10.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.0 p -45.82 -41.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.0 -54.28 5.83 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 47.3 p -68.1 -172.8 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 13.6 t -173.86 137.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 10.7 m120 -149.12 129.89 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -54.71 -36.96 60.29 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' A' ' 545' ' ' SER . 42.2 m-20 -46.21 -40.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 542' ' ' ILE . 90.9 mt -58.27 -46.01 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 16.5 m -63.86 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.5 p -42.18 -35.0 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 13.7 m -74.84 -50.94 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.322 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -36.39 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.0 tpt -66.01 -42.22 89.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.458 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.15 -42.86 63.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 553' ' ' ARG . 2.8 t-20 -63.87 -52.36 60.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -41.47 -31.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.24 -63.53 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 1.1 mm-40 -81.69 18.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 549' ' ' ASN . 13.6 tpt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' TRP . . . . . 0.4 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 57.0 p-90 -165.03 -41.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' VAL . . . . . 0.4 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 7.4 p -54.29 -25.42 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -63.6 -71.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -55.65 -48.84 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.37 -48.35 62.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.42 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.02 -48.99 77.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -61.76 -75.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 46.8 tp -42.63 -21.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.93 -75.81 0.93 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.04 -28.99 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.5 tp -44.58 -52.58 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.11 101.6 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -85.47 -31.62 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.88 177.16 52.22 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -150.51 119.53 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.27 -168.78 35.58 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -49.66 -35.34 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -42.72 -39.29 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.38 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.9 OUTLIER -42.77 -44.48 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.84 -48.79 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.4 t -46.68 -54.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.82 -51.06 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.52 -34.92 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 590' ' ' ALA . 8.1 m -68.07 -52.03 39.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ILE . . . . . 0.573 ' CG2' ' HG1' ' A' ' 596' ' ' THR . 97.1 mt -46.64 -27.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.7 t -80.12 -35.08 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.55 -25.41 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 44.1 mt -95.43 146.05 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.67 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' A' ' 595' ' ' MET . 12.1 t60 54.25 77.38 0.44 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.597 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.79 15.12 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.904 2.403 . . . . 0.0 111.973 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.0 tpt -73.65 -29.46 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.482 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.573 ' HG1' ' CG2' ' A' ' 588' ' ' ILE . 39.0 p -59.65 -3.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.7 t -42.82 -32.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.79 -39.44 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 596' ' ' THR . 76.7 mt -69.7 -25.82 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.19 -39.13 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.62 -52.71 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.37 -69.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.64 -45.85 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.45 -42.82 57.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 t -65.27 -44.94 86.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 28.1 t -80.3 120.22 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.22 173.21 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 17' ' ' VAL . 20.9 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -85.53 106.44 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -112.73 152.2 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.495 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -104.4 153.77 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.68 104.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -88.96 131.85 34.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.465 ' C ' ' H ' ' B' ' 9' ' ' THR . 17.9 p -100.21 143.72 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.468 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -0.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.465 ' H ' ' C ' ' B' ' 7' ' ' THR . 51.7 p -91.95 -34.89 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.2 71.21 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -174.74 137.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -113.72 120.02 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.556 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.38 140.61 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -110.63 123.58 50.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.21 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -126.85 137.44 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.19 109.78 21.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.4 m -131.6 -168.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.755 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.585 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 10.9 mt-10 -142.07 150.2 55.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.329 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.65 -42.69 18.93 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.049 2.499 . . . . 0.0 112.572 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.3 t -72.58 -5.18 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.319 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.5 m-20 -67.7 137.7 55.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.658 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -87.37 139.37 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -45.41 -48.05 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.355 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -50.92 -44.64 60.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.219 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.522 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 10.5 t-20 -59.66 -40.49 87.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.269 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.23 -48.31 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -53.52 -41.14 66.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.177 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.35 97.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.522 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 55.1 mttp -58.18 -45.14 88.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.406 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.36 -39.21 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -60.16 -40.48 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.28 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -73.69 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.32 -88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.06 16.84 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.533 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 15.8 mt -80.36 112.33 29.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.66 0.267 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.45 134.15 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.568 2.179 . . . . 0.0 111.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.3 -39.72 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.674 2.25 . . . . 0.0 111.989 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.4 15.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' B' ' 38' ' ' PRO . 18.1 mt-30 -147.74 55.78 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 72.2 mt-30 -149.09 93.7 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -89.89 104.31 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -98.91 130.9 45.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.5 mt -131.18 141.02 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 57.6 t80 -131.71 170.89 14.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.678 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -31.65 -50.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.28 -88.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 19.2 tttm -152.86 -143.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.305 . . . . 0.0 110.505 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.426 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 7.6 tt0 -88.07 133.89 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.07 102.63 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.79 158.63 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.46 172.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 72.18 -71.05 1.0 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLY . 14.4 mmt180 -40.93 164.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -114.15 166.97 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.5 -16.39 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.539 ' C ' ' H ' ' B' ' 59' ' ' TYR . 26.4 p -76.35 -33.61 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.51 16.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' B' ' 57' ' ' SER . 73.3 m-85 -138.94 1.75 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.402 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 2.5 m120 62.8 26.11 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.689 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 107.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.401 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -87.32 -159.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -86.68 161.24 18.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 56.63 25.61 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.74 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -77.89 166.63 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.396 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -122.46 102.33 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.659 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -87.02 161.4 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -119.94 105.22 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.461 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.402 HD13 ' H ' ' B' ' 70' ' ' VAL . 59.9 tp -89.0 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.402 ' H ' HD13 ' B' ' 69' ' ' LEU . 91.5 t -149.32 106.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.62 ' H ' ' CD2' ' B' ' 71' ' ' LEU . 1.8 pt? -85.21 147.78 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -67.17 -177.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -53.9 120.28 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -47.73 151.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.67 75.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.025 -1.43 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.574 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -101.32 112.34 24.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -104.07 152.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -107.28 153.72 22.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -129.1 100.69 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.232 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -83.69 133.14 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.727 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p -83.88 -138.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.82 38.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -152.86 -27.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.68 70.89 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -171.85 137.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.561 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -131.39 109.18 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.59 139.43 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -103.31 112.91 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.329 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.47 128.19 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.11 113.72 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.1 m -136.34 -175.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -135.44 178.99 1.5 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.117 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.62 -25.2 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.749 2.299 . . . . 0.0 112.229 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.1 p -89.17 -5.46 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -66.24 139.0 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.466 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 3.7 p -90.26 139.55 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.694 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ILE . . . . . 0.433 HG21 HD11 ' C' ' 23' ' ' ILE . 23.4 mm -45.51 -51.63 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.298 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.95 -42.93 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.276 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ASN . . . . . 0.466 ' H ' ' HG1' ' C' ' 22' ' ' THR . 2.7 t30 -59.88 -48.02 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.44 -49.02 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.193 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.49 -33.11 59.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.208 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.86 72.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.405 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.12 -38.02 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.21 -39.81 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.458 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.25 -37.77 84.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.411 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.51 -27.45 63.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.518 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -77.04 -56.29 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -96.77 -93.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.26 12.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 18.4 mt -79.76 111.54 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.632 0.253 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.63 138.07 14.87 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.53 2.154 . . . . 0.0 111.79 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.41 -39.14 21.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.736 2.29 . . . . 0.0 111.957 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.24 -58.08 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.697 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -58.41 -42.2 86.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.657 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.561 ' O ' ' NH1' ' C' ' 42' ' ' ARG . 76.4 mt-30 -44.58 151.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.619 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ARG . . . . . 0.561 ' NH1' ' O ' ' C' ' 41' ' ' GLN . 6.4 tpp180 -149.84 106.65 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -94.58 120.62 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -125.52 127.79 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -138.66 148.23 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.6 37.57 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.47 44.94 95.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -157.06 131.16 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.57 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -72.69 135.18 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.76 132.83 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.04 158.66 19.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -78.9 158.1 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 88.5 -60.96 3.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.1 mmt180 -42.61 169.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' THR . . . . . 0.54 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.9 p -117.4 157.97 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.72 0.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' SER . . . . . 0.54 ' H ' ' C ' ' C' ' 55' ' ' THR . 7.0 t -97.31 -10.74 25.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -86.91 -38.84 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -83.54 2.18 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 68.66 8.71 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -53.01 113.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.29 -162.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -86.02 158.21 19.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 55.7 32.75 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -83.85 141.91 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -89.86 107.62 19.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.38 114.39 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.77 108.0 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.473 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -91.87 129.28 37.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.539 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.459 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.9 t -141.01 172.5 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.459 ' H ' HG12 ' C' ' 70' ' ' VAL . 9.5 mp -100.03 166.97 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -135.29 157.91 45.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -171.58 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ptt-85 -44.58 157.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.46 127.51 0.89 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . 0.444 ' H2 ' ' H ' ' A' ' 483' ' ' THR . 26.2 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.444 ' H ' ' H2 ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -59.81 98.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -171.6 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.6 tt -57.37 -30.36 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 43.4 m -58.31 -50.79 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 36.9 m -52.87 -33.16 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.49 61.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.98 -71.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.1 mm -43.98 -32.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.98 -56.29 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.1 -56.33 23.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 496' ' ' ALA . 11.0 mp -45.88 -57.6 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -43.99 -36.78 3.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 495' ' ' ILE . 96.1 mt -89.29 -16.99 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -67.52 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -79.1 27.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.01 89.81 0.59 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.453 ' HG ' ' N ' ' A' ' 501' ' ' LYS . 21.5 p -165.25 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.337 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.453 ' N ' ' HG ' ' A' ' 500' ' ' SER . 24.9 mtmm 55.48 57.6 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.3 OUTLIER -76.21 -150.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.652 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 17.1 m-20 -123.02 -24.67 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.37 -17.76 61.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.39 -10.36 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.348 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.77 67.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.0 -28.53 12.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.87 -45.64 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.678 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.546 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.4 mt -48.13 -66.05 0.64 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.649 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.0 -53.5 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.68 2.253 . . . . 0.0 111.734 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.62 -31.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.73 36.85 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -157.37 -33.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.564 ' O ' ' OG1' ' A' ' 516' ' ' THR . 0.6 OUTLIER -38.28 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.633 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 515' ' ' SER . 4.9 m -172.23 98.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.736 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 516' ' ' THR . 13.9 t70 52.61 113.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' NH1' ' A' ' 553' ' ' ARG . 4.0 mp -137.58 148.04 59.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.76 121.74 3.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.858 2.372 . . . . 0.0 111.954 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.92 -6.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 519' ' ' PRO . 39.6 tp10 -64.09 -54.32 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 38.2 m -99.4 -32.32 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.622 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.96 -65.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.28 -65.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.8 mtt -39.87 -67.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 27.1 t -41.58 -50.92 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.8 tt -48.61 -61.64 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.55 -49.95 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 1.5 tt -44.42 -57.97 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.44 -39.04 93.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.9 -53.06 10.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 535' ' ' VAL . 69.1 t -70.08 -63.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.512 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -75.84 31.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -62.13 -33.2 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.633 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -73.71 -81.63 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.6 t -67.92 -171.2 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.521 ' N ' ' OG1' ' A' ' 537' ' ' THR . 28.2 p -173.08 -177.33 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -167.16 170.4 11.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.62 -53.17 6.07 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.465 ' O ' ' OG ' ' A' ' 545' ' ' SER . 33.9 m-20 -39.54 -45.67 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.545 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.95 -52.35 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.485 ' HG1' ' HH ' ' A' ' 574' ' ' TYR . 12.1 m -62.35 -63.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.9 p -40.18 -36.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 8.0 m -76.44 -66.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.249 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -39.68 -30.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 545' ' ' SER . 4.0 tpt -72.55 -47.9 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 545' ' ' SER . 78.6 m-20 -48.05 -37.51 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 552' ' ' GLU . 0.5 OUTLIER -69.65 -52.41 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.459 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -40.89 -35.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.5 mp -76.97 -41.86 41.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.483 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 56.2 mm-40 -75.3 14.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER -99.76 89.1 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.633 ' C ' ' H ' ' A' ' 556' ' ' ILE . 35.2 p -100.25 140.59 34.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -69.54 29.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.633 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.6 -26.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.543 -179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.74 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.94 179.7 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 560' ' ' THR . 32.0 ttmt -90.71 121.46 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.524 ' O ' ' CE3' ' A' ' 562' ' ' TRP . 92.7 m -168.13 150.72 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 561' ' ' ASP . 0.4 OUTLIER -82.93 130.0 35.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 560' ' ' THR . 2.7 p90 -146.63 -12.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 7.0 p -52.96 -15.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -70.92 -37.76 72.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -81.19 -60.67 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.457 ' CD1' ' H ' ' A' ' 566' ' ' LEU . 10.3 mp -43.51 -46.13 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.33 51.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.3 tp -46.66 -72.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.525 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.89 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.4 tp -41.18 -23.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -75.62 -75.96 0.81 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.8 mt -50.71 -27.2 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 49.2 tp -46.28 -26.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.485 ' HH ' ' HG1' ' A' ' 543' ' ' THR . 54.5 m-85 -118.0 163.39 16.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ptm -173.86 -14.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -77.34 -150.6 4.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.82 144.01 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.708 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 140.35 69.63 0.04 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 578' ' ' GLY . 7.0 mp0 25.97 34.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.708 ' N ' ' O ' ' A' ' 578' ' ' GLY . 54.5 mt-30 -69.69 -63.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.77 -28.27 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -58.91 -49.44 77.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.7 -42.71 99.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.486 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.1 t -51.8 -56.02 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.8 mp -53.99 -40.53 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.42 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -54.17 -39.36 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.33 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 590' ' ' ALA . 40.1 m -61.97 -55.77 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.08 -28.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.297 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 46.5 t -86.46 -29.51 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.92 -36.25 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.327 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 592' ' ' GLU . 13.6 pt -89.44 -157.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 591' ' ' ILE . 22.1 mt-10 -59.31 -147.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 0.5 OUTLIER -157.47 68.31 4.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 593' ' ' HIS . 3.1 Cg_exo -75.85 -158.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.939 2.426 . . . . 0.0 111.915 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.49 -19.0 63.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.5 m -49.53 -26.36 3.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 80.8 p -43.01 -37.98 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -53.33 -39.05 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.25 -40.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -50.55 -31.95 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.32 -49.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.5 tp -47.51 -62.41 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.29 -52.87 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -44.69 -31.92 2.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 20.9 t -76.59 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.499 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 46.6 t -74.98 119.15 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 177.39 160.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -61.88 166.76 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 1.2 t -55.59 137.59 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -159.21 49.97 0.4 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 65.1 p -83.69 -133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.42 ' N ' ' O ' ' B' ' 17' ' ' VAL . 26.0 ttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -94.37 121.25 35.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -126.73 151.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.527 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 92.1 m-85 -108.14 141.27 40.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.604 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -120.25 103.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -89.11 117.65 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.719 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.456 ' HG1' ' HG1' ' B' ' 9' ' ' THR . 58.4 p -87.18 142.56 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -45.3 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.456 ' HG1' ' HG1' ' B' ' 7' ' ' THR . 71.6 p -46.33 -62.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.78 82.12 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -175.11 159.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -136.75 104.59 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.55 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.744 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.527 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 51.1 m -109.2 125.35 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -120.47 158.22 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.717 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -111.0 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' B' ' 1' ' ' MET . 9.7 m -98.19 -174.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.768 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.445 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 50.6 mt-10 -135.58 146.6 58.14 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.24 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.0 -23.51 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.902 2.401 . . . . 0.0 112.297 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.446 ' H ' ' HG ' ' B' ' 20' ' ' SER . 0.3 OUTLIER -95.45 22.83 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.3 m-20 -96.17 133.1 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.5 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.1 p -82.21 139.12 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.402 HD13 HG22 ' B' ' 23' ' ' ILE . 21.5 mm -40.92 -50.49 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.62 -39.32 57.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.3 OUTLIER -63.21 -41.27 99.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.325 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.01 -50.08 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -52.81 -38.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.3 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.79 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -56.61 -38.74 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.75 -45.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -55.22 -34.93 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.32 -29.28 61.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -74.08 -57.79 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -97.7 -81.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.73 12.49 0.05 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.514 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 43.6 mt -79.86 113.18 35.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.652 0.263 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.19 138.47 13.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.53 2.154 . . . . 0.0 111.919 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.61 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.724 2.283 . . . . 0.0 111.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.5 -34.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 72' ' ' ARG . 10.4 mm100 -95.49 59.82 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 70.5 mt-30 -153.01 106.32 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -103.41 103.72 13.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.64 131.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.75 147.67 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.449 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.5 t80 -137.71 177.22 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.639 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -34.89 -34.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.6 -89.56 0.53 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 16.6 ttmt -153.43 -142.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.538 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 48.9 tt0 -84.12 131.43 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -83.1 128.41 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.7 mp0 -80.12 159.52 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.02 110.23 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 145.66 -66.32 0.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -46.17 175.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 p -115.71 169.44 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 72.4 mt -69.97 -10.61 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.1 p -88.49 -11.93 44.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -82.34 -39.96 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -86.03 5.97 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.27 35.28 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.94 101.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -80.2 -157.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.65 160.53 19.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 59.3 35.18 23.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -94.47 130.74 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.8 m -94.32 105.27 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.56 123.27 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.34 101.36 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.459 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.403 HD13 ' H ' ' B' ' 70' ' ' VAL . 41.6 tp -94.27 131.85 39.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.403 ' H ' HD13 ' B' ' 69' ' ' LEU . 19.5 t -126.31 135.9 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.401 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 8.3 mp -79.54 125.56 29.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.567 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.534 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 53.7 ttt85 -81.91 75.57 8.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 8.7 mt 58.8 148.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 73' ' ' LEU . 93.1 mtt180 -41.93 163.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.62 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.419 ' O ' ' OXT' ' B' ' 76' ' ' GLY . . . -160.38 106.88 0.3 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.419 ' OXT' ' O ' ' B' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.02 -1.433 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.57 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.9 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -95.25 112.28 24.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -114.92 155.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -113.06 146.02 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.76 107.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.41 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -86.02 134.1 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.533 ' C ' ' H ' ' C' ' 9' ' ' THR . 67.8 p -85.49 163.58 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 40.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.533 ' H ' ' C ' ' C' ' 7' ' ' THR . 3.2 m -153.18 -57.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.21 -51.56 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -43.63 137.44 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -123.26 157.61 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -131.08 138.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -105.84 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 2.5 mm? -101.53 127.44 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.478 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -88.87 82.28 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.291 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.57 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.8 m -106.97 -166.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 2.0 mt-10 -136.35 178.07 1.91 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.061 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.58 -26.18 12.06 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.29 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 16.59 13.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.5 m-20 -87.68 138.76 31.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.2 p -87.41 141.45 28.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -46.2 -53.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -44.76 -43.79 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.174 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -59.92 -47.78 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -54.33 -51.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.163 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -51.82 -35.31 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.091 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.4 86.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.09 -29.94 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.312 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.81 -39.34 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.381 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.38 -35.76 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.406 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.08 -31.05 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.633 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -76.12 -63.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.08 -90.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.64 3.98 0.04 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 34.0 mt -79.35 131.5 65.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.618 0.247 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.12 143.55 36.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.551 2.167 . . . . 0.0 111.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.553 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -45.86 -61.67 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.792 2.328 . . . . 0.0 111.96 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -41.33 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' C' ' 38' ' ' PRO . 82.9 mt-30 -112.13 54.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -146.78 168.11 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.645 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -171.09 103.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 mt -85.26 128.61 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.9 mt -125.2 139.84 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -144.92 134.7 23.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.14 25.94 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 51.27 10.74 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.64 135.95 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' C' ' 49' ' ' GLN . 3.5 mp0 -74.32 135.95 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 mt -93.78 105.85 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.58 154.74 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.58 173.97 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.24 -41.99 2.97 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.44 170.86 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -116.5 167.07 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.26 -5.3 22.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -88.46 -29.68 19.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.31 -39.41 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -87.77 8.5 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 58.34 16.69 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.46 101.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.393 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' C' ' 65' ' ' SER . 37.8 mt-30 -81.2 -157.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -86.31 160.44 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 59.2 32.17 21.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' C' ' 62' ' ' GLN . 1.3 m -89.11 126.98 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -90.48 96.84 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.59 129.91 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -82.33 99.66 9.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.1 133.74 36.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.4 HG13 ' H ' ' C' ' 71' ' ' LEU . 2.2 t -141.01 168.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.4 ' H ' HG13 ' C' ' 70' ' ' VAL . 22.4 mt -115.39 99.38 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' C' ' 73' ' ' LEU . 45.0 ttt85 -58.84 162.38 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' C' ' 72' ' ' ARG . 6.4 tp -156.61 141.75 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -62.98 -178.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.16 -133.62 1.75 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.2 171.64 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.425 ' HZ2' ' CB ' ' A' ' 484' ' ' LYS . 6.2 mtpm? -77.35 93.95 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.56 -14.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 44.5 m -62.48 -53.03 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 18.2 t -51.53 -57.26 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.667 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.13 -38.48 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.668 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -59.28 -72.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 490' ' ' ILE . 16.7 mm -53.24 -40.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.94 -50.77 6.05 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 18.2 tp -61.41 -34.41 75.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.51 18.31 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.5 tt -76.05 -12.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -62.56 -63.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.631 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.6 p90 -79.17 18.89 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.85 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.67 88.34 1.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.2 m -154.45 -66.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.3 tttm 58.84 44.2 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -83.27 -150.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -88.96 -41.33 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 3.1 t -48.32 -51.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.375 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 506' ' ' LEU . 10.6 mp -86.64 -19.91 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.43 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.87 -4.82 55.91 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.9 -42.91 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.15 -58.67 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.544 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.9 tp -45.08 -59.97 3.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.25 -49.82 11.0 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.538 2.159 . . . . 0.0 111.667 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.09 -20.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.51 7.37 17.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.488 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -137.19 2.71 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 511' ' ' PRO . 27.3 t -59.0 -85.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 515' ' ' SER . 3.6 m -168.0 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.8 114.06 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.26 158.66 33.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.431 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.88 111.75 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.893 2.395 . . . . 0.0 112.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.18 -38.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.23 -39.55 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 55.3 p -84.0 -64.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.528 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.54 -24.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.8 mtt -54.33 -23.35 14.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.26 -66.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 55.0 p -51.88 -25.91 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.57 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.26 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -54.39 47.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.47 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -53.22 -46.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 535' ' ' VAL . 98.0 t -71.21 -49.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.662 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.1 13.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.2 p -52.5 -35.38 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.23 -50.22 5.9 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 30.4 p -82.1 -174.26 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 10.3 t -171.48 154.82 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 59.3 t-20 -167.07 134.54 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -57.85 -40.03 92.44 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.07 -35.73 5.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.0 -37.56 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -68.47 -47.17 67.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.431 ' HG1' ' N ' ' A' ' 545' ' ' SER . 40.8 p -51.61 -47.55 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.431 ' N ' ' HG1' ' A' ' 544' ' ' THR . 1.5 t -64.71 -50.9 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.189 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -28.48 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.8 tpt -72.13 -38.82 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.94 -36.68 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.462 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -45.69 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.43 -32.22 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 553' ' ' ARG . 25.3 tp -74.02 -52.48 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.95 29.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.527 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.3 ttm180 -46.41 140.43 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.445 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.07 -26.44 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.587 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 54.24 18.0 1.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.152 0.501 . . . . 0.0 109.739 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.12 -18.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.644 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.526 ' OE1' ' CE3' ' A' ' 562' ' ' TRP . 48.0 mt-10 -54.02 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 558' ' ' LEU . 3.5 mm? 54.93 30.02 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 560' ' ' THR . 56.1 mttp -154.04 145.81 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.517 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 31.8 p 52.87 -158.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.06 155.87 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.526 ' CE3' ' OE1' ' A' ' 557' ' ' GLU . 13.7 p-90 -164.09 -41.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 38.8 t -47.15 -25.64 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -68.22 -43.03 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -62.09 -46.74 87.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.477 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 9.4 mp -57.85 -61.74 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -48.12 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 56.3 tp -45.88 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 43.7 tp -41.99 -21.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -81.91 -77.29 1.05 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.6 tt -46.14 -24.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -48.11 -27.29 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -109.17 132.11 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 16.7 mmt -84.99 10.47 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 84.1 57.25 2.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.43 -100.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.07 -101.39 0.14 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.74 -32.27 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 580' ' ' GLN . 0.4 OUTLIER -46.76 -57.43 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 584' ' ' VAL . 98.1 t -54.89 -49.81 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 581' ' ' VAL . 9.8 t70 -38.72 -44.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.87 -42.87 80.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 581' ' ' VAL . 46.6 t -52.76 -44.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.91 -44.86 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.22 -34.61 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 590' ' ' ALA . 17.2 m -67.49 -55.38 13.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 98.9 mt -43.86 -32.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 62.4 m -78.07 -32.04 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.19 -26.41 62.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' A' ' 593' ' ' HIS . 7.5 mm -77.84 172.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 591' ' ' ILE . 93.3 mt-10 -46.65 -11.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.561 ' H ' ' C ' ' A' ' 591' ' ' ILE . 37.5 t60 60.31 70.29 1.03 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.541 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.78 -153.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.919 2.413 . . . . 0.0 111.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 55.1 mtt -73.19 22.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.541 ' H ' ' C ' ' A' ' 594' ' ' PRO . 12.1 t -74.31 -2.9 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.539 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.2 m -41.06 -37.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.89 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 599' ' ' ILE . 90.9 mt -42.33 -30.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.23 -47.38 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.21 -58.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 602' ' ' LEU . 10.0 mp -49.98 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.6 t -49.96 -27.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.05 93.53 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 -70.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.8 120.61 26.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.27 -73.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -59.98 134.2 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.9 t -79.09 8.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.42 -139.74 37.96 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.0 p -73.66 143.95 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.785 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.88 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 17' ' ' VAL . 18.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.62 HE21 ' N ' ' B' ' 3' ' ' ILE . 1.6 tm0? -93.74 130.37 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.62 ' N ' HE21 ' B' ' 2' ' ' GLN . 15.0 pt -138.58 149.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.669 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.434 ' CE2' ' NE2' ' B' ' 2' ' ' GLN . 98.0 m-85 -104.84 149.41 25.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.681 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.76 107.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.42 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -85.72 137.8 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.487 ' C ' ' H ' ' B' ' 9' ' ' THR . 40.1 p -103.41 142.03 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 41.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.487 ' H ' ' C ' ' B' ' 7' ' ' THR . 77.0 p -139.67 -32.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.36 62.75 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -174.77 131.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -108.5 156.47 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.46 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -137.24 130.35 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -100.73 128.03 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.74 133.43 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.777 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -92.49 76.84 5.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.262 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 1' ' ' MET . 5.7 m -97.2 -163.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.6 mt-10 -138.32 177.5 2.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.099 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.3 Cg_exo -75.32 -42.22 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.749 2.3 . . . . 0.0 112.175 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -71.42 -11.9 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.767 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.06 136.38 57.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.429 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.7 p -89.08 140.87 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.424 HG23 HD11 ' B' ' 23' ' ' ILE . 26.5 mm -41.2 -55.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -49.15 -35.68 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.534 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 16.7 t-20 -64.9 -44.01 90.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.131 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.9 -40.05 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.181 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.237 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.2 mttp -58.14 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.88 -44.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.403 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.19 -35.9 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -72.04 -27.99 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.04 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -94.52 -95.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.66 15.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.564 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 32.2 mt -81.32 112.67 35.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.26 137.91 13.71 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.598 2.199 . . . . 0.0 111.944 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.34 -56.43 2.94 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.728 2.286 . . . . 0.0 111.96 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.81 -30.82 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -100.91 61.63 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 59.3 mt-30 -153.27 92.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -88.43 110.72 21.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.453 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.53 121.69 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.694 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 mt -117.99 142.33 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.9 t80 -147.8 112.16 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 590' ' ' ALA . . . 42.05 -85.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.623 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -42.03 -86.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 47.1 tttt -157.04 -141.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 49.3 tt0 -88.71 136.95 32.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.253 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.405 HD22 ' N ' ' B' ' 50' ' ' LEU . 5.7 mt -85.67 126.03 33.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -78.96 160.18 27.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -78.06 115.86 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.585 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 141.49 -66.83 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.7 mmt85 -45.56 174.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 50.6 p -116.33 170.49 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.6 -0.3 8.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.742 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.9 m -93.17 -40.64 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.578 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -53.07 -38.16 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -88.44 8.26 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 53.55 36.05 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.728 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.21 101.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.413 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.71 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.61 159.77 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 63.59 31.37 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.697 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -91.19 123.69 34.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -93.45 94.69 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.421 HD11 ' H ' ' B' ' 67' ' ' LEU . 2.2 mp -86.38 141.21 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -85.99 141.26 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -128.2 131.26 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -137.91 116.53 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 161.88 28.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttt-85 -62.11 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -173.62 111.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -79.06 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.95 -73.12 0.47 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.512 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -103.43 121.04 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.88 149.43 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.21 147.47 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -125.06 102.61 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -85.52 126.3 33.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -84.52 155.7 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.364 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -71.71 49.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 26.0 p -149.82 -44.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.42 -28.33 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' C' ' 34' ' ' GLU . 37.0 ttpt -68.27 155.58 39.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -138.38 143.39 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.25 143.5 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -109.56 116.96 32.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.369 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.17 134.06 55.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.773 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -91.74 113.26 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.29 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.0 m -135.32 -165.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.516 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 13.4 mp0 -142.9 148.43 45.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.258 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -43.85 14.03 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.887 2.391 . . . . 0.0 112.224 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -39.92 92.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 14.7 m-20 -40.64 146.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 3.9 p -98.1 146.25 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.597 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.93 -51.15 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -48.59 -44.32 36.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.192 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.563 HD22 ' HZ2' ' C' ' 29' ' ' LYS . 0.3 OUTLIER -59.0 -40.02 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.193 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.02 -46.67 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -54.41 -39.83 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.08 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.393 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . 0.563 ' HZ2' HD22 ' C' ' 25' ' ' ASN . 36.5 mttp -57.38 -41.1 79.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.304 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.14 -45.22 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.411 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.05 -35.35 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.59 -36.64 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -68.76 -60.89 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.465 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' C' ' 11' ' ' LYS . 67.2 mm-40 -90.52 -95.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.52 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.81 23.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 81.5 mt -90.99 106.21 14.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.697 0.284 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.63 137.26 11.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.776 2.317 . . . . 0.0 111.979 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.571 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.32 -44.95 19.57 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.729 2.286 . . . . 0.0 112.014 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.39 9.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.71 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.0 mt-30 -137.02 54.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -150.77 177.57 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' C' ' 49' ' ' GLN . 51.6 ttm-85 -171.3 104.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -86.72 119.04 26.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 mt -118.82 136.19 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.53 134.15 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 44.21 13.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 53.11 49.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -159.53 121.45 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' C' ' 42' ' ' ARG . 25.9 tt0 -73.57 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.44 122.05 30.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -78.69 158.96 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.59 162.99 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.46 -64.5 2.55 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -41.76 150.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 110.634 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.557 ' C ' ' H ' ' C' ' 57' ' ' SER . 30.9 p -98.93 157.25 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.26 2.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.557 ' H ' ' C ' ' C' ' 55' ' ' THR . 38.1 t -96.15 -37.73 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -55.79 -41.53 74.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -83.79 6.11 22.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m120 56.61 29.83 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.51 98.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -77.66 -157.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -83.67 159.91 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.23 32.25 20.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -91.59 126.44 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 15.2 m -91.33 118.16 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.21 125.51 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -78.61 101.66 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 131.5 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.13 172.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 mt -114.04 166.99 11.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -145.74 169.3 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' C' ' 74' ' ' ARG . 43.0 tp -169.38 148.74 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 73' ' ' LEU . 31.5 mtt-85 -41.17 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.54 -136.67 2.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 22.7 p -51.77 -18.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -78.45 77.6 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.52 -26.13 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 28.5 t -50.7 -32.8 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 26.1 t -63.03 -41.19 99.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -71.97 -22.43 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.09 -69.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.2 mm -51.09 -36.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 20.9 tp -52.59 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.62 -50.2 54.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 5.7 tp -46.49 -47.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.73 91.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.1 mm -80.58 -2.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -81.12 -75.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -77.5 20.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -45.78 -67.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.3 73.68 0.59 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 24.0 m -137.43 -62.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 56.33 68.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.4 OUTLIER -105.37 -148.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.542 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.594 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 20.0 m-20 -114.54 -14.65 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -81.08 -44.66 17.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.229 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.5 t -45.76 -55.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.69 -26.61 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.66 -4.68 54.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.57 -41.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.828 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -44.56 -60.34 3.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.685 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.88 -49.12 11.48 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.62 2.213 . . . . 0.0 111.737 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.8 mt -56.87 -19.49 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.351 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 26.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.03 -38.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.56 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 514' ' ' ALA . 65.2 m -31.57 -64.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.469 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 23.6 m -153.36 -79.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 518' ' ' LEU . 21.2 t70 -146.46 -55.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 517' ' ' ASP . 2.7 mt 51.48 173.97 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.96 156.93 43.21 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.804 2.336 . . . . 0.0 112.031 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 522' ' ' THR . 61.2 mt -74.03 -39.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -41.21 -27.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' THR . . . . . 0.427 ' HG1' ' H ' ' A' ' 523' ' ' ALA . 68.1 p -108.65 -57.49 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.427 ' H ' ' HG1' ' A' ' 522' ' ' THR . . . -44.12 -41.58 5.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 525' ' ' MET . . . -64.81 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 524' ' ' ALA . 21.6 mmt -37.85 -47.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.19 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.3 p -57.47 -21.95 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -37.59 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -75.09 -44.08 49.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.98 -64.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -49.86 -51.07 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -41.18 -56.61 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.2 t -67.56 -55.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.55 30.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.6 p -70.33 -26.51 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.69 -67.09 1.58 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.7 p -68.78 -171.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 31.2 t -172.27 155.88 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -161.28 127.01 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -45.04 -35.16 4.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -50.13 -46.06 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.19 -37.23 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.3 m -66.64 -55.46 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.5 p -46.17 -31.12 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -56.4 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.02 -21.91 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.1 tpt -77.63 -58.07 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -44.35 -37.4 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.605 HD22 ' NH1' ' A' ' 553' ' ' ARG . 0.4 OUTLIER -68.54 -53.59 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -48.73 -32.46 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.3 tp -69.71 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 516' ' ' THR . 19.9 mt-10 -44.42 -37.85 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.605 ' NH1' HD22 ' A' ' 549' ' ' ASN . 50.4 ttm-85 -58.14 130.47 46.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.34 -14.41 15.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 58.34 1.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.081 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.562 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -89.3 -30.37 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.449 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -43.36 -63.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 40.2 mt -112.72 168.99 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.93 67.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 72.7 p -148.35 70.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.2 t0 61.15 121.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 46.6 p90 -161.07 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.482 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 5.8 p -53.3 -12.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.523 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 562' ' ' TRP . 10.9 tpt180 -68.5 -44.85 73.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -78.13 -53.19 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 566' ' ' LEU . 10.7 mp -49.07 -45.17 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.43 72.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.07 -58.33 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.98 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.5 tp -40.53 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.523 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.77 -77.69 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.7 tt -54.32 -13.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -45.2 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -55.77 117.08 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 12.6 tpt -92.52 -57.03 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -87.3 111.94 3.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -47.46 167.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 159.94 179.9 35.04 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -73.83 -15.79 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.74 -52.67 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 7.7 p -49.1 -42.7 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.448 ' N ' ' CG1' ' A' ' 581' ' ' VAL . 33.9 t0 -53.6 -41.94 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.519 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.61 -41.79 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.02 -45.59 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.01 -49.32 75.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.444 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -49.22 -33.28 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.336 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 9.2 m -69.66 -47.46 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.433 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.2 mt -46.68 -36.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.7 p -74.42 -33.48 62.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -59.14 -22.11 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 37.9 pt -119.19 -163.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.06 174.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 593' ' ' HIS . 3.3 p80 -143.66 74.29 16.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.553 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.52 -152.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.97 2.447 . . . . 0.0 111.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 26.2 mtt -69.4 37.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.553 ' H ' ' C ' ' A' ' 594' ' ' PRO . 9.9 t -94.35 -7.53 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.3 p -45.31 -40.35 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.96 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 66.7 mt -74.48 -51.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -45.81 -62.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.48 -53.19 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -45.02 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.68 -40.13 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.09 -31.82 56.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 606' ' ' CYS . 33.4 p -79.4 -58.49 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . 0.437 ' N ' ' OG ' ' A' ' 605' ' ' SER . 41.9 t -74.8 124.29 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.81 -155.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -77.65 -169.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 18.4 p -51.97 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -81.62 137.36 17.33 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 20.0 p -127.98 -76.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.613 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 118.005 -1.442 . . . . 0.0 110.92 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' B' ' 2' ' ' GLN . 7.9 pt20 -85.59 122.5 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -123.2 144.87 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -98.94 142.47 30.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.89 104.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -90.13 119.93 30.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.719 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.515 ' C ' ' H ' ' B' ' 9' ' ' THR . 26.6 p -89.66 143.28 26.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 42.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.515 ' H ' ' C ' ' B' ' 7' ' ' THR . 52.6 p -135.63 -15.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 65.48 0.63 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -173.99 141.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -120.45 132.34 55.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -119.28 133.76 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.776 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.02 122.38 46.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -125.27 139.87 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' OE2' ' B' ' 18' ' ' GLU . 4.4 tm-20 -91.06 113.68 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.409 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 m -133.91 -170.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.686 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' B' ' 20' ' ' SER . 49.9 mm-40 -138.59 144.02 40.52 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.367 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -9.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.869 2.379 . . . . 0.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -105.01 12.69 31.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.724 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 18' ' ' GLU . 3.6 m-20 -87.6 137.43 32.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 55.5 p -84.63 138.21 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.401 HG21 HD12 ' B' ' 23' ' ' ILE . 28.5 mm -44.88 -40.41 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.372 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.01 -41.74 88.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.557 ' H ' ' HG1' ' B' ' 22' ' ' THR . 16.9 m-20 -62.51 -40.73 97.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.2 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.72 -49.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.28 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -53.4 -40.16 64.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.28 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.71 83.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -55.9 -38.94 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.4 -49.58 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.422 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -53.44 -30.97 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -75.81 -30.43 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -77.39 -61.67 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -91.04 -109.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.22 25.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 71.2 mt -97.65 99.94 7.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.594 0.235 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.9 Cg_endo -44.77 144.21 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.723 2.282 . . . . 0.0 112.018 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.32 -66.96 0.13 Allowed 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.792 2.328 . . . . 0.0 112.031 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.3 t70 -36.92 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 73' ' ' LEU . 15.1 mm100 -97.51 60.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.644 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 66.9 mt-30 -154.64 137.28 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -134.06 96.94 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.12 136.42 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -136.72 144.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.369 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 60.4 t80 -135.1 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -35.55 -45.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.703 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.66 -90.02 0.06 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 43.1 tttt -154.11 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.31 . . . . 0.0 110.542 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 39.1 tt0 -86.04 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.55 129.94 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -88.41 159.73 17.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.21 162.92 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.66 -67.02 3.07 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.63 ' NE ' ' N ' ' B' ' 54' ' ' ARG . 4.2 mmp_? -43.14 169.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.663 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.4 p -113.13 171.55 7.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.4 mt -66.51 -28.97 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.484 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.8 t -66.05 -28.05 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' B' ' 59' ' ' TYR . 59.8 m-20 -77.56 30.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.484 ' H ' ' C ' ' B' ' 57' ' ' SER . 76.7 m-85 -158.48 4.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.8 m-20 59.57 24.69 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.11 98.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -80.24 -160.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -82.62 161.93 22.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 56.15 32.79 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.8 m -91.2 130.28 37.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -92.54 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.76 123.76 46.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -78.66 104.21 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.2 tt -96.19 118.69 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.3 t -119.65 114.82 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.65 ' H ' ' CD2' ' B' ' 71' ' ' LEU . 1.7 pt? -85.57 141.19 30.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.602 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' NE ' ' OE1' ' B' ' 40' ' ' GLN . 6.6 ptm180 -90.42 71.07 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 17.5 mt 61.35 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.512 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -158.6 -171.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.83 79.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.812 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.903 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.522 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.5 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -92.86 123.35 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.62 142.37 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -96.39 136.25 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.94 105.17 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.408 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -83.82 133.06 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.7 p -83.11 -139.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.94 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 3.5 m -160.15 -14.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.45 64.7 0.24 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -173.39 148.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' C' ' 13' ' ' ILE . 94.7 m -135.76 161.45 35.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' C' ' 12' ' ' THR . 3.2 mt -138.41 137.52 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -106.19 102.66 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 15' ' ' LEU . 3.4 mm? -97.12 133.92 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.0 103.46 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.4 m -129.44 -164.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.558 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 5.0 mt-10 -145.86 146.73 29.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.238 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.32 -13.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.866 2.377 . . . . 0.0 112.274 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.6 p -105.08 19.94 19.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.799 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -93.34 137.48 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.434 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.459 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.5 p -82.38 129.23 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.42 HG22 HD13 ' C' ' 23' ' ' ILE . 35.4 mm -38.82 -51.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.449 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -49.82 -43.31 48.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' C' ' 22' ' ' THR . 16.5 t-20 -60.24 -41.81 93.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -48.42 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -53.26 -41.71 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.268 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' C' ' 32' ' ' ASP . . . -60.64 -46.42 90.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.301 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -56.9 -38.83 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.84 -42.08 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.51 -36.4 73.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' C' ' 28' ' ' ALA . 1.3 m-20 -70.61 -34.37 72.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -71.4 -58.93 3.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -93.03 -95.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.9 17.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.456 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 27.7 mt -90.14 105.91 12.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -45.77 144.3 5.69 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.649 2.233 . . . . 0.0 111.956 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.58 -62.78 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.85 2.367 . . . . 0.0 111.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -44.9 -29.79 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -97.19 55.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.4 mt-30 -149.13 165.45 31.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.469 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 52.2 ttt180 -162.73 103.72 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -92.55 117.39 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.9 mt -116.59 128.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' C' ' 47' ' ' GLY . 70.8 t80 -128.98 126.04 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 73.28 -9.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' C' ' 45' ' ' PHE . . . 121.54 -14.45 9.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -98.94 143.67 28.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -81.15 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.75 111.63 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 154.79 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -77.11 172.3 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.24 -61.97 2.22 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -46.63 168.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.446 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 28.2 p -108.53 173.44 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.67 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -68.91 -22.16 64.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.694 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.446 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 19.1 p -69.54 -27.28 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.644 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -76.42 15.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' C' ' 57' ' ' SER . 94.8 m-85 -143.07 4.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 54.26 46.87 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.11 110.27 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.4 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -88.57 -171.44 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.779 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.15 160.38 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 59.27 28.71 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.726 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -85.38 127.75 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -92.94 104.01 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 4.9 mp -87.52 172.69 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.467 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -122.76 99.3 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -85.15 130.62 34.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.36 159.66 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' C' ' 71' ' ' LEU . 3.7 mm? -84.09 125.23 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.07 148.0 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 59.2 tp -170.56 88.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.95 156.86 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.59 -144.58 6.92 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 46.3 p -78.12 116.0 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 51.63 57.13 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.0 -26.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 17.0 t -57.0 -43.03 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.557 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 488' ' ' ALA . 53.3 p -57.6 -61.7 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' A' ' 487' ' ' SER . . . -41.25 -37.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -59.04 -58.86 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.4 mm -42.58 -47.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 491' ' ' LEU . 9.9 mp -59.17 -42.84 91.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.84 -48.75 84.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.8 mp -58.08 -36.95 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -44.09 93.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 28.4 pt -87.29 1.58 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.722 0.296 . . . . 0.0 110.619 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -84.01 -59.44 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 51.9 p90 -89.54 20.47 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -38.66 -67.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 80.11 0.26 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.0 m -138.26 -67.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 62.49 64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -91.96 -94.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -177.61 -30.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 505' ' ' VAL . 19.9 tp10 -81.09 -38.95 26.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 504' ' ' GLU . 4.3 t -38.93 -49.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.279 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' A' ' 508' ' ' LEU . 7.7 mt -82.55 -30.7 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.378 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -55.35 -9.34 2.17 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 506' ' ' LEU . 5.8 tp -120.76 -43.38 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.318 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 510' ' ' LEU . 74.2 mt -66.21 -63.15 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.792 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.9 mt -38.4 -64.78 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.55 -53.56 5.4 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.749 2.299 . . . . 0.0 111.744 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.5 mt -51.38 -17.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -128.12 11.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -154.95 16.61 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.8 m -63.04 -57.13 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.664 ' HG1' ' NH2' ' C' ' 42' ' ' ARG . 3.2 m -168.25 -53.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -168.51 68.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.43 149.87 40.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 124.05 5.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.757 2.304 . . . . 0.0 111.986 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.5 -13.96 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.16 -46.48 89.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 69.0 p -87.97 -49.42 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.52 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -51.17 -46.4 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.8 mtt -59.87 -71.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -43.1 -47.48 6.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.7 t -47.16 -45.06 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.53 -31.42 69.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -53.37 -53.55 49.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.6 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.95 -51.26 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 535' ' ' VAL . . . -42.46 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -56.48 -50.17 72.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.59 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.8 t -69.75 -68.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.98 17.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 533' ' ' VAL . 10.6 p -46.33 -47.95 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . 0.439 ' N ' ' CG1' ' A' ' 535' ' ' VAL . . . -78.69 -73.95 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.5 m -62.84 115.66 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.8 m -104.12 170.39 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.443 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -163.16 167.87 21.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -78.28 -47.31 8.33 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.465 ' O ' ' OG ' ' A' ' 545' ' ' SER . 9.7 m-20 -44.5 -41.68 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.9 -59.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.6 m -59.46 -59.19 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 78.6 p -40.74 -55.21 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 4.2 m -60.17 -55.72 30.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.347 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -29.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.221 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -77.62 -43.45 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -45.95 -47.88 16.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.322 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -69.05 -40.91 78.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.297 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.505 ' CZ ' ' NH2' ' A' ' 553' ' ' ARG . 15.6 t80 -59.53 -29.38 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.438 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 553' ' ' ARG . 16.9 tp -72.46 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 516' ' ' THR . 31.1 mt-10 -71.35 22.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.5 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.565 ' H ' ' C ' ' A' ' 551' ' ' LEU . 34.7 ttp180 -70.52 80.7 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.606 ' C ' ' H ' ' A' ' 556' ' ' ILE . 78.7 p -80.27 133.95 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -56.05 -4.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.245 0.545 . . . . 0.0 109.728 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.606 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -59.9 -33.7 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.48 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -90.13 0.29 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 558' ' ' LEU . 0.2 OUTLIER -65.11 109.85 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.525 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -157.23 -70.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 72.2 p -92.73 169.63 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -44.45 157.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 54.0 p-90 -168.47 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.588 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.8 p -44.32 -19.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 562' ' ' TRP . 29.5 ttm-85 -80.58 -71.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.72 -47.26 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 56.4 tp -56.4 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.33 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.7 -53.4 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 571' ' ' GLY . . . -50.37 -58.19 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.07 -3.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 569' ' ' ALA . . . -93.51 -67.25 1.07 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.443 HG21 HD12 ' A' ' 572' ' ' ILE . 11.3 mm -60.16 -39.5 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.2 tp -42.43 -68.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.23 107.32 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.47 -7.53 14.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 58.75 102.62 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -163.27 17.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -173.79 173.89 46.01 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -65.93 -1.39 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.418 ' H ' ' C ' ' A' ' 578' ' ' GLY . 61.0 mt-30 -52.55 -55.4 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 5.8 p -52.05 -38.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.406 ' N ' ' CG1' ' A' ' 581' ' ' VAL . 7.1 t70 -52.92 -46.56 68.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.93 -49.43 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 51.3 t -42.15 -48.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.86 -40.43 92.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.426 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -55.49 -40.96 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.308 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.4 m -62.81 -48.45 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 79.7 mt -46.27 -39.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.26 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.5 t -67.32 -34.2 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.268 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -56.8 -32.51 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 51.5 mt -103.36 75.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 54.72 -158.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 0.0 OUTLIER -175.49 46.17 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.634 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.7 Cg_endo -44.26 -102.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.939 2.426 . . . . 0.0 111.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.548 ' C ' ' H ' ' A' ' 597' ' ' SER . 0.6 OUTLIER -107.73 3.71 24.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.712 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 598' ' ' ALA . 9.8 t -48.48 -10.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.548 ' H ' ' C ' ' A' ' 595' ' ' MET . 69.5 m -44.01 -19.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -74.2 -48.83 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.38 -30.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -65.92 -35.79 81.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.79 -47.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.08 -71.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.574 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.83 -38.85 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.74 -38.31 53.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.6 m -70.13 -46.19 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.0 110.6 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.08 119.61 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -179.93 -174.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.537 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 34.8 p90 -79.93 111.13 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 6.4 p -94.95 31.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 72.69 155.99 3.07 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 134.88 22.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.974 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.524 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -98.79 100.87 12.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 pt -94.84 149.75 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.42 137.19 41.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -119.75 107.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.385 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -93.85 118.38 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.511 ' C ' ' H ' ' B' ' 9' ' ' THR . 62.3 p -87.07 142.88 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.484 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.31 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -135.73 -31.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.24 66.72 0.17 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -173.31 139.35 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -124.66 111.34 15.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.47 152.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -117.15 103.69 10.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.391 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' B' ' 15' ' ' LEU . 3.3 mm? -100.01 130.15 46.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.77 92.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 1' ' ' MET . 9.4 m -115.84 171.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.62 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 81.3 mm-40 -122.38 147.67 50.51 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.291 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.07 -25.79 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.968 2.445 . . . . 0.0 112.628 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -95.76 14.18 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.027 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.62 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 34.8 m-20 -82.03 133.62 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -82.24 140.55 33.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -44.14 -53.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -50.52 -34.83 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.05 -49.25 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.231 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -53.4 -39.3 64.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.324 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.78 81.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.479 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -57.16 -36.7 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -67.65 -47.48 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.39 -40.08 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.27 -37.13 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -68.24 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -84.3 -86.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.09 -0.75 0.05 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -72.04 132.38 84.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 0.0 110.456 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -73.54 143.31 34.16 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.717 2.278 . . . . 0.0 111.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -64.62 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.865 2.376 . . . . 0.0 112.0 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 5.3 m-20 -38.03 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 38' ' ' PRO . 66.2 mm-40 -104.69 53.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -149.21 138.58 21.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.65 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -138.5 97.05 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 12.6 mt -87.43 134.09 33.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.45 144.83 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.1 t80 -131.85 179.64 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.1 -35.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -78.17 -87.65 0.43 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -157.15 -145.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 6.6 tp-100 -80.33 137.69 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.68 123.86 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.19 159.43 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 121.37 23.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 133.33 -70.2 0.52 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.3 mmt180 -44.42 170.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.554 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -113.45 173.07 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.583 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.4 mt -73.32 3.1 6.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -93.76 -27.73 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.9 -39.03 72.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.616 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -85.16 8.75 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m120 54.79 40.12 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 mt -86.44 113.35 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.44 -158.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -86.43 159.33 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 57.69 22.27 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -77.08 133.29 39.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -88.29 112.36 22.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.69 122.55 45.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -76.3 103.26 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.12 111.27 22.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.36 137.52 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mt -85.56 165.52 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -109.5 73.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.47 174.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -45.48 119.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.28 -41.41 9.3 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.956 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.563 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.46 104.16 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -96.92 151.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.757 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.15 152.64 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.51 100.0 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.251 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.19 125.12 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.493 ' C ' ' H ' ' C' ' 9' ' ' THR . 82.1 p -85.43 155.67 21.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 43.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.493 ' H ' ' C ' ' C' ' 7' ' ' THR . 1.3 m -150.24 -32.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.62 -54.55 0.54 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -40.16 140.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -132.86 116.23 16.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.67 165.77 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.671 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -133.35 106.24 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.19 136.69 46.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.98 105.09 17.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.272 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.3 m -127.3 170.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.521 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.2 mm-40 -119.43 177.23 1.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.097 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.57 -25.28 12.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.69 2.26 . . . . 0.0 112.051 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -92.38 4.81 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 17.2 m-20 -74.95 137.34 41.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -87.18 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.465 HG21 HD13 ' C' ' 23' ' ' ILE . 31.0 mm -44.24 -52.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.435 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -47.94 -40.44 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.265 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -62.48 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.05 -48.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.308 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.25 83.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -56.12 -41.79 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.317 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.37 -42.13 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.489 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.54 -33.01 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.49 -32.13 62.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -75.52 -64.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.76 -95.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.559 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.07 17.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 43.0 mt -85.69 110.8 32.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.591 0.234 . . . . 0.0 110.464 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.84 137.9 12.23 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.601 2.201 . . . . 0.0 111.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.29 -57.35 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.762 2.308 . . . . 0.0 112.074 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.457 ' O ' ' CZ ' ' C' ' 72' ' ' ARG . 13.8 t70 -46.08 -38.87 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.7 -35.81 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 90.7 mt-30 -57.31 150.64 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.664 ' NH2' ' HG1' ' A' ' 516' ' ' THR . 44.6 ttt180 -150.27 104.85 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.19 115.21 24.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -117.07 126.54 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -143.75 145.22 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 38.35 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.2 51.51 58.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -168.42 132.71 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.89 138.0 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.73 119.98 26.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.58 158.18 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 161.59 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.606 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.19 -66.37 3.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.7 mmt180 -40.95 164.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.46 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.6 p -114.8 160.18 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.44 -1.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.46 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.84 -15.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -81.9 -30.56 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.61 6.49 48.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . 0.535 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 6.8 m120 61.87 14.12 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.77 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -57.62 115.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 17.0 mp0 -87.74 -161.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.672 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -86.42 159.35 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.735 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 56.28 24.35 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -78.93 135.55 36.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.499 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -83.46 126.52 32.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.49 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -72.51 100.61 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.04 126.44 33.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.466 HG11 ' H ' ' C' ' 71' ' ' LEU . 0.8 OUTLIER -138.73 176.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.482 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.466 ' H ' HG11 ' C' ' 70' ' ' VAL . 15.5 mt -94.94 163.83 13.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.611 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . 0.457 ' CZ ' ' O ' ' C' ' 39' ' ' ASP . 45.0 ttp85 -129.03 156.03 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -173.89 119.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -54.7 176.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.81 179.5 38.76 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.1 p -119.97 32.51 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -51.43 142.0 14.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.566 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.6 pt -48.75 -28.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 46.3 m -46.15 -46.47 17.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.3 t -57.1 -53.34 59.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.72 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.95 -70.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 25.0 mm -53.44 -36.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 494' ' ' GLY . 18.5 tp -52.39 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.59 -39.79 4.72 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.12 -38.84 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 491' ' ' LEU . . . -60.53 -48.02 88.26 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.54 -9.61 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.51 -48.35 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 1.2 m-85 -66.35 6.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -78.57 11.57 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -64.86 -96.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 34.3 t -158.28 75.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mttp 42.64 79.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -94.1 131.75 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -6.05 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -81.45 -37.61 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.01 -60.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.078 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.3 -22.86 66.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.8 -34.1 76.13 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.8 tp -113.03 -38.73 4.41 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 3.8 mm? -66.95 -60.5 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.902 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.617 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 0.3 OUTLIER -40.51 -60.41 1.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.61 -57.21 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.299 1.999 . . . . 0.0 111.609 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 512' ' ' ILE . 67.5 mt -53.47 -11.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' A' ' 511' ' ' PRO . . . -106.36 -8.82 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -167.62 43.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.539 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 511' ' ' PRO . 6.2 p -69.65 -56.98 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.136 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.7 OUTLIER -172.73 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -171.4 90.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -120.76 149.95 51.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.66 121.22 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.817 2.345 . . . . 0.0 111.937 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.7 pt -64.72 4.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 519' ' ' PRO . 45.2 mt-10 -74.84 -61.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 p -82.29 -45.07 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.65 -38.1 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.72 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 19.9 mtt -59.01 -49.56 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -48.5 -56.89 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.544 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.7 t -51.12 -53.7 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 13.9 tp -49.58 -38.09 30.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -57.18 -46.48 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -72.96 -65.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.54 -31.32 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 535' ' ' VAL . 81.0 t -75.11 -69.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -74.3 20.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -51.55 -31.33 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.28 -96.68 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 5.7 t -58.2 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.477 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.0 p -152.51 170.37 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 13.5 m-80 -158.23 145.38 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.95 50.45 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.72 -46.17 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.05 -36.94 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.3 m -66.27 -53.91 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.9 p -56.63 -27.56 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.26 -59.42 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.293 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -29.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.4 mmt -74.56 -55.46 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -39.42 -41.02 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -69.69 -52.54 24.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.655 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.74 -29.27 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.9 mp -75.87 -53.99 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -48.54 -11.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.516 ' H ' ' C ' ' A' ' 551' ' ' LEU . 24.5 ttp180 -59.46 105.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 556' ' ' ILE . 16.2 p -95.44 1.86 54.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.66 13.8 0.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.45 . . . . 0.0 109.907 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.446 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -74.26 -27.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.71 -179.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -63.12 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 13.0 mt 60.66 84.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.509 ' NZ ' ' CB ' ' A' ' 559' ' ' LYS . 9.2 mtmp? -152.0 -93.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 12.6 m -78.37 156.45 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.506 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 560' ' ' THR . 2.1 p-90 -148.2 -12.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 60.1 t -46.38 -21.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.582 ' NE ' ' CZ ' ' A' ' 565' ' ' PHE . 18.1 ptt180 -71.76 -47.31 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CZ ' ' NE ' ' A' ' 564' ' ' ARG . 29.6 m-85 -58.89 -36.58 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.485 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -69.86 -28.03 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.86 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 10.8 mp -47.87 -31.98 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.612 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -76.32 -84.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.4 tp -48.21 -17.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.65 -77.84 0.75 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.43 -5.71 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 16.9 tp -40.96 -63.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -69.6 -166.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.0 ttt -150.62 -78.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -72.33 124.28 9.8 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -78.28 125.82 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -164.39 -157.91 9.84 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.94 -9.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 578' ' ' GLY . 35.5 mt-30 -63.72 -66.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.9 t -46.62 -34.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.26 -73.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.93 -46.64 52.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.3 t -43.29 -66.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 92.1 mt -47.88 -47.69 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.75 -43.78 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.0 m -56.34 -51.15 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . 0.449 HG22 HD11 ' A' ' 588' ' ' ILE . 15.9 mm -46.6 -39.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.0 t -63.11 -39.5 94.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.79 -30.2 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.388 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.539 ' CG2' ' H ' ' A' ' 592' ' ' GLU . 16.5 mm -80.06 179.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.539 ' H ' ' CG2' ' A' ' 591' ' ' ILE . 69.7 mt-10 -56.91 -144.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -141.52 73.42 24.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.53 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.058 2.506 . . . . 0.0 112.008 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 34.3 mtt -89.98 16.55 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.6 p -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 47.8 t -43.29 -45.8 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.03 -59.31 5.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.98 -43.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -53.92 -38.78 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.68 -57.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.81 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.7 t -49.61 -33.95 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.16 87.59 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 27.4 p -64.57 -46.96 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.786 0.327 . . . . 0.0 110.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.8 t -80.67 129.69 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.44 -170.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -78.21 8.93 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 7.2 t -161.67 162.93 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -161.41 89.01 0.11 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.9 p -69.81 97.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 110.619 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 118.018 -1.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.65 120.64 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.3 148.96 33.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.67 151.6 24.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.97 104.83 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -87.22 128.16 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.646 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.473 ' C ' ' H ' ' B' ' 9' ' ' THR . 13.7 p -102.38 144.04 31.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.494 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 40.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.473 ' H ' ' C ' ' B' ' 7' ' ' THR . 62.3 p -140.38 0.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.64 71.73 1.14 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -174.42 152.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.335 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -143.18 97.57 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 153.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.5 m -129.09 100.37 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 15' ' ' LEU . 9.6 mp -98.83 168.65 9.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -122.58 76.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.185 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -98.16 -162.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.961 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.435 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.2 mt-10 -142.33 177.02 2.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.013 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.09 12.08 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.13 14.68 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.78 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.86 140.08 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.537 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 p -86.93 137.49 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.439 HG23 HD13 ' B' ' 23' ' ' ILE . 23.1 mm -44.15 -51.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.331 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -47.71 -43.89 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.28 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.41 -41.23 93.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.209 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.59 -51.17 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.184 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.18 -44.15 61.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.229 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.26 79.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -54.42 -47.9 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -56.66 -47.05 82.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.21 -30.45 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.25 -43.85 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.19 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.442 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.09 -102.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.53 7.46 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 39.6 mt -69.26 134.83 89.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.17 135.1 22.24 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.561 2.174 . . . . 0.0 111.876 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.97 -39.91 19.99 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.652 2.235 . . . . 0.0 112.021 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.01 7.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.54 ' H ' ' C ' ' B' ' 38' ' ' PRO . 14.8 mt-30 -145.66 63.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -149.08 95.1 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 72' ' ' ARG . 7.0 mtp180 -88.3 103.89 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.18 125.43 39.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mt -125.17 147.06 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 68.8 t80 -136.29 173.44 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.627 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -37.14 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.74 -87.25 0.83 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.418 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 37.6 tttm -155.85 -137.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.625 ' NE2' ' N ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -85.01 134.62 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.79 111.16 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.664 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.78 159.24 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.57 165.66 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.61 -63.24 4.44 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 53' ' ' GLY . 33.3 mmt-85 -45.09 173.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -117.1 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.46 -12.23 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.6 p -83.23 -18.13 40.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -84.12 12.53 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -138.67 8.29 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 55.53 34.14 22.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.678 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -81.43 95.97 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.02 -157.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.652 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -84.49 161.72 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.706 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 56.69 37.97 29.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -95.36 133.72 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.55 95.36 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.59 122.76 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.71 143.59 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.226 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 tp -137.3 121.88 18.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.4 132.87 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 9.4 mp -84.67 158.52 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 42' ' ' ARG . 19.5 mmt180 -103.67 61.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' B' ' 73' ' ' LEU . 7.6 mp 56.35 78.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -51.11 -177.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.0 -139.55 6.04 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 117.987 -1.451 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.499 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.23 112.79 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -103.5 149.17 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -102.29 134.64 45.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -120.14 104.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -86.03 138.58 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -109.45 142.25 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' C' ' 9' ' ' THR . 10.8 mt -69.01 59.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' C' ' 8' ' ' LEU . 49.7 p -162.23 -5.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 65.55 1.4 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -172.43 125.45 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 14.1 m -108.01 151.45 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -132.64 122.1 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -89.75 118.88 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.1 mt -115.57 130.28 56.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.788 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.14 94.83 8.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.34 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' C' ' 1' ' ' MET . 10.8 m -121.38 -179.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.781 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.48 170.59 8.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.217 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' C' ' 57' ' ' SER . 3.4 Cg_exo -74.54 -2.0 11.83 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.797 2.331 . . . . 0.0 112.156 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -113.92 -4.57 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -64.05 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -84.95 142.62 29.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.586 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -46.0 -52.86 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.78 -43.01 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.92 -45.98 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.318 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.14 -50.24 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.224 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -52.74 -35.03 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.157 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.42 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -59.43 -37.62 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.71 -36.79 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' C' ' 32' ' ' ASP . 2.7 m-20 -73.35 -29.77 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.4 -57.58 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -93.78 -93.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.44 22.91 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.43 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 67.0 mt -93.01 104.37 11.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.591 0.234 . . . . 0.0 110.514 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.37 138.71 9.98 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.608 2.205 . . . . 0.0 111.926 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.565 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.15 -41.12 21.72 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.79 2.327 . . . . 0.0 111.939 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.24 23.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.565 ' H ' ' C ' ' C' ' 38' ' ' PRO . 23.2 mt-30 -153.25 50.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.8 mt-30 -148.19 176.21 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -171.38 104.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.91 123.0 32.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mt -120.52 125.09 73.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.1 t80 -99.28 -114.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -80.16 57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.64 84.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -123.4 132.82 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.91 142.63 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.28 123.33 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.605 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -83.44 157.95 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.6 120.29 21.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 127.66 -67.54 0.55 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 12.6 mmt180 -42.26 167.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -108.47 171.69 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.604 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.33 -12.1 61.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' C' ' 19' ' ' PRO . 1.4 t -83.78 -27.63 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.22 -39.61 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.41 10.51 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.95 30.22 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -80.39 101.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -80.71 -159.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -81.97 161.21 23.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.68 30.15 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -82.89 132.92 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -86.54 140.26 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.35 172.27 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -128.46 137.48 51.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' C' ' 69' ' ' LEU . 5.5 tt -107.34 121.2 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.443 ' CG1' ' HG ' ' A' ' 515' ' ' SER . 2.3 t -132.75 157.55 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.401 ' H ' HG13 ' C' ' 70' ' ' VAL . 16.7 mt -102.25 102.68 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.571 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -72.12 159.61 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -171.66 111.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -59.95 145.8 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.76 149.96 6.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.4 t -79.31 0.89 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 486' ' ' SER . 52.0 mtpt -63.49 163.2 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.9 tt -47.05 -19.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 484' ' ' LYS . 52.7 m -45.85 -43.56 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 40.6 t -64.13 -61.01 2.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.72 -22.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -73.55 -71.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.606 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 490' ' ' ILE . 14.0 mm -44.41 -56.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 40.0 mt -46.59 -51.31 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.69 -58.39 6.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.9 mp -49.26 -39.81 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.69 91.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.2 mm -83.74 -12.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.67 -77.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 498' ' ' ALA . 5.5 p90 -85.68 29.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.675 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -39.88 -42.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.439 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -108.91 -177.98 21.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.463 ' O ' ' OG ' ' A' ' 500' ' ' SER . 8.1 p 64.87 100.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.551 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -71.01 52.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.64 ' C ' ' H ' ' A' ' 504' ' ' GLU . 56.5 t-20 -59.0 125.27 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.61 8.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.695 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . 0.64 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.0 tp10 -90.66 -48.61 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.094 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.38 -35.76 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 506' ' ' LEU . 10.2 mp -93.61 -24.17 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.471 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.53 34.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.22 -45.99 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 509' ' ' LEU . 7.9 mp -67.69 -54.11 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.932 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.2 tp -48.96 -58.75 7.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.747 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.14 -49.06 13.42 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.44 2.093 . . . . 0.0 111.634 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.56 -20.97 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.272 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -110.44 20.02 18.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -162.14 20.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.48 ' O ' ' OG1' ' A' ' 516' ' ' THR . 38.6 t -71.66 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.309 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 0.2 OUTLIER -172.23 67.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 516' ' ' THR . 3.0 t70 80.83 109.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.13 155.7 17.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.319 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . 0.508 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.29 107.49 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.827 2.351 . . . . 0.0 111.945 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -74.56 19.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 519' ' ' PRO . 7.9 mp0 -78.8 -30.86 45.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 33.9 p -103.88 -26.1 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.83 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.6 mmt -49.68 -46.99 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.32 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -53.86 -35.05 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.82 -45.3 61.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.22 -45.44 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 532' ' ' HIS . 91.8 mt -69.22 -68.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.615 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.96 -23.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 530' ' ' LEU . 23.8 t60 -72.93 -55.2 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.4 t -70.52 -29.56 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.633 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -101.9 11.32 38.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -44.84 -31.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.82 -84.77 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.6 t -74.68 -173.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.409 ' N ' ' OG1' ' A' ' 537' ' ' THR . 17.8 p -168.79 177.64 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -158.25 172.1 18.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.87 -45.7 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.06 -47.41 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 67.4 mt -49.53 -42.78 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 57.6 m -66.75 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.4 p -39.33 -37.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.415 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 18.2 m -74.05 -53.32 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -29.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 75.4 mmm -71.6 -48.86 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -47.52 -41.83 21.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.406 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.1 -41.76 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.79 -19.34 63.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 553' ' ' ARG . 43.2 tp -87.49 -52.61 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.72 30.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' A' ' 551' ' ' LEU . 11.4 ptp180 -65.29 132.26 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.513 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.621 ' C ' ' H ' ' A' ' 556' ' ' ILE . 31.4 p -100.43 141.99 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -70.6 29.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.135 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.621 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.77 -20.13 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.629 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.423 ' HB2' ' H ' ' A' ' 558' ' ' LEU . 6.2 mm-40 -73.22 -94.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.654 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.423 ' H ' ' HB2' ' A' ' 557' ' ' GLU . 3.7 mt 48.64 26.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -167.3 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.6 m -45.77 144.72 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.76 152.56 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.58 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 6.2 p-90 -159.77 -62.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.58 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 13.9 p -50.28 -12.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 562' ' ' TRP . 47.8 ttp180 -79.06 -44.27 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -79.61 -40.18 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.87 -55.8 28.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.35 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.648 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.95 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -52.09 -60.6 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.5 tp -45.56 -20.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -82.15 -76.63 1.09 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 574' ' ' TYR . 11.5 mm -44.72 -29.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 44.7 tp -43.69 -21.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 572' ' ' ILE . 38.0 m-85 -118.83 157.36 27.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER -171.46 11.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.565 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -156.05 167.69 33.35 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' A' ' 579' ' ' GLU . 4.3 tp-100 53.2 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.69 86.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 579' ' ' GLU . 20.6 mp0 -83.28 -45.31 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -56.78 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 582' ' ' ASP . 9.5 p -48.39 -38.83 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 581' ' ' VAL . 13.7 t70 -56.87 -51.28 69.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.28 -37.37 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 17.6 t -58.75 -44.37 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.8 -43.58 81.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.73 -32.12 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 590' ' ' ALA . 22.6 m -70.76 -56.6 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -43.76 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.309 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.9 t -81.89 -32.35 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.317 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -55.81 -27.98 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 68.6 mt -85.11 91.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 43.44 -124.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -170.87 71.84 0.54 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.85 -160.92 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.523 ' C ' ' H ' ' A' ' 597' ' ' SER . 8.4 ptp -90.56 14.33 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.4 t -57.28 -3.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 595' ' ' MET . 73.1 m -42.81 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.476 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -71.75 -51.66 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.1 mt -63.32 -39.85 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -54.8 -54.28 44.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 92.1 t -56.62 -56.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.0 tp -43.24 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.68 -16.77 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.5 -60.32 5.53 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 35.0 t -58.95 -60.97 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 30.6 m -82.18 122.0 27.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.41 -72.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -72.77 -82.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 25.0 p -44.05 121.44 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -79.19 -177.84 50.34 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 81.2 p -78.62 -84.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.67 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.893 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.51 ' N ' ' O ' ' B' ' 17' ' ' VAL . 28.8 ttp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -80.22 114.42 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.23 150.9 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -108.06 144.91 34.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.619 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -127.45 104.2 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.421 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -85.27 118.99 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.446 ' C ' ' H ' ' B' ' 9' ' ' THR . 72.9 p -88.02 141.91 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 44.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.446 ' H ' ' C ' ' B' ' 7' ' ' THR . 82.0 p -141.76 -18.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.43 65.71 0.52 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -175.17 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -107.61 114.93 29.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.97 145.1 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -117.52 119.62 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.03 138.13 53.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -90.18 114.9 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.334 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 1' ' ' MET . 14.2 m -131.4 -171.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.6 mt-10 -133.79 144.58 52.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -19.57 0.67 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.934 2.423 . . . . 0.0 112.341 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -98.3 12.76 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.645 0.26 . . . . 0.0 111.093 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.6 m-20 -84.58 135.37 34.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.422 ' OG1' ' CG ' ' B' ' 24' ' ' GLU . 36.1 p -81.55 145.23 30.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.718 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.9 mm -51.89 -41.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 14.5 pt-20 -55.93 -42.12 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.105 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.5 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.19 -53.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -49.79 -42.22 46.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.145 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -59.69 -45.99 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -56.37 -49.35 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.28 -47.55 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -55.14 -29.39 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.374 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 28' ' ' ALA . 3.7 m-20 -72.41 -42.45 65.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -69.65 -64.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -84.34 -104.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.68 9.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.461 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 42.1 mt -70.51 128.67 90.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.526 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.06 137.1 25.87 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.535 2.157 . . . . 0.0 111.898 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.586 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -42.05 23.43 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.785 2.323 . . . . 0.0 111.929 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.24 8.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' B' ' 38' ' ' PRO . 10.0 mt-30 -144.01 62.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -150.54 132.19 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -129.03 96.95 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.81 127.87 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.48 143.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.435 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.651 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 76.2 t80 -133.12 178.07 7.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.651 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.96 -32.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -82.48 -89.12 0.68 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.421 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 40.9 tttt -153.24 -143.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.421 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 18.6 tt0 -84.7 138.09 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.408 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -89.94 133.76 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.5 mp0 -94.74 157.16 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.97 168.56 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 80.53 -71.96 2.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.5 mmt180 -39.98 164.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 73.6 p -111.33 -179.76 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.1 mt -77.35 -3.38 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.456 ' C ' ' H ' ' B' ' 59' ' ' TYR . 13.9 t -87.18 -29.57 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -76.88 20.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.7 m-85 -145.71 6.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 54.63 38.56 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -83.07 98.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -79.8 -163.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -82.17 160.49 23.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.38 169.74 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.332 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -133.33 90.33 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.471 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.72 124.09 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -83.74 105.13 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.4 tp -91.13 130.1 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.673 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.21 133.53 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.37 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.38 155.91 19.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -104.73 70.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.415 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 15.5 mt 62.12 79.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -42.37 124.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.02 -161.43 13.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.547 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.4 ttp . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.832 0.348 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -88.98 116.83 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -117.21 151.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -109.54 142.85 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.65 100.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -83.78 122.03 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -81.55 142.25 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.379 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -71.79 58.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -161.85 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.9 70.61 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -171.82 157.46 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -143.99 107.12 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.01 136.6 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -106.17 123.1 47.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.346 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.52 134.92 48.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -87.19 118.61 26.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.416 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' C' ' 1' ' ' MET . 3.8 m -138.44 -166.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 39.1 mt-10 -145.45 152.49 49.9 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 -48.57 10.86 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.068 2.512 . . . . 0.0 112.321 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.403 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.8 OUTLIER -57.91 -40.05 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.865 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 5.1 m-20 -39.66 139.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.488 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 6.7 p -94.59 145.23 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 mm -46.49 -52.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.288 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -46.81 -44.04 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.488 ' H ' ' HG1' ' C' ' 22' ' ' THR . 8.6 t30 -58.92 -45.78 89.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.069 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.31 -48.49 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.036 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -53.38 -35.65 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.055 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.62 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.275 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.02 -39.8 87.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.92 -35.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.83 -35.43 81.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -73.67 -28.54 61.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -79.1 -63.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -85.19 -96.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.44 23.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 45.1 mt -97.21 99.43 6.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.694 0.283 . . . . 0.0 110.541 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.22 144.73 4.03 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.645 2.23 . . . . 0.0 111.918 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.589 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.9 Cg_endo -45.7 -46.14 15.53 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.779 2.32 . . . . 0.0 111.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -70.52 29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.589 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.9 mt-30 -156.0 45.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.7 mt-30 -143.32 173.98 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.494 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 23.1 ttm180 -166.06 93.24 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.84 115.24 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -112.21 136.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -143.49 129.0 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.64 28.01 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.63 53.56 8.33 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -165.42 133.49 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' NH1' ' C' ' 42' ' ' ARG . 72.9 mt-30 -79.67 130.26 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -82.82 129.8 35.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 4.1 mp0 -81.34 158.63 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 171.68 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.42 -57.7 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -44.08 146.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 14.8 p -94.76 154.22 17.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -56.19 -16.92 6.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -78.8 -30.97 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.71 -41.0 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -86.65 0.86 53.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' C' ' 60' ' ' ASN . 0.4 OUTLIER 71.28 -1.54 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.731 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' C' ' 60' ' ' ASN . 68.6 mt -40.34 98.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.52 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 11.8 mp0 -80.21 -157.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 158.07 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 59.03 34.81 23.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 37.4 m -85.05 164.06 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.407 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -121.56 98.62 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.6 115.98 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -77.37 98.09 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.39 122.45 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.403 HG13 ' H ' ' C' ' 71' ' ' LEU . 2.4 t -131.24 171.73 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.403 ' H ' HG13 ' C' ' 70' ' ' VAL . 29.5 mt -110.67 166.83 10.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -145.72 159.35 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -159.6 124.72 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -46.96 160.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.88 -113.78 0.66 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.16 172.29 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 486' ' ' SER . 4.0 tppt? -166.51 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.4 pt -53.29 -11.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 484' ' ' LYS . 33.0 p -63.87 -36.1 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 90.1 p -65.42 -56.9 9.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.27 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -71.35 -72.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.1 mm -49.71 -45.76 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.44 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.534 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.71 -49.46 40.58 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -53.27 -45.12 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.48 58.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.0 mm -89.1 -12.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -70.11 -79.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.641 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -77.4 27.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.19 -65.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -106.59 71.19 0.22 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 87.5 p -162.47 93.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -76.69 54.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.531 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 49.9 t30 -72.59 -171.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.531 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -109.51 0.44 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -84.87 -40.74 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.295 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.63 -58.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.369 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.416 ' O ' ' CD ' ' A' ' 511' ' ' PRO . 9.0 mt -78.68 -18.77 53.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.22 -10.0 64.96 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -125.51 -46.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.71 -52.79 33.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.5 tp -51.64 -59.09 8.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.81 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.81 -44.31 22.39 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.383 2.056 . . . . 0.0 111.635 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.66 -26.77 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.314 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -94.1 3.99 54.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -143.21 7.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.597 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.7 t -58.24 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.44 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.569 ' N ' ' HG ' ' A' ' 515' ' ' SER . 0.6 OUTLIER -171.38 -75.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.74 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -137.32 87.09 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 56.1 mt -117.83 149.86 46.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 111.995 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 22.1 pt -67.17 -2.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -73.96 -32.68 63.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 74.6 m -101.77 -45.47 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.3 -43.82 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.11 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.16 -53.86 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -51.15 -53.18 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 8.5 t -44.54 -45.02 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.16 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -54.43 -42.0 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.9 -44.58 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -59.55 -48.97 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.662 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.9 t -72.14 -58.85 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 537' ' ' THR . 41.2 m-85 -72.94 14.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -46.99 -31.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -78.9 -79.56 0.79 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.7 t -72.92 -173.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.533 ' N ' ' OG1' ' A' ' 537' ' ' THR . 21.0 p -170.98 170.11 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 14.9 m-80 -156.84 178.79 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.72 -42.98 4.63 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.85 -31.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.662 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.4 -48.12 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.4 m -59.46 -58.96 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.8 p -41.99 -36.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 4.4 m -77.83 -60.33 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.1 OUTLIER -46.19 -28.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.361 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 13.4 mmt -74.28 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -39.08 -32.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -79.32 -48.51 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.2 m-85 -52.91 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 551' ' ' LEU . 7.0 mp -67.16 -50.51 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 516' ' ' THR . 62.8 mt-10 -72.81 33.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 551' ' ' LEU . 28.3 ptt-85 -65.04 135.8 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.422 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -13.21 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.716 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . 59.71 12.65 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.458 ' O ' ' CG2' ' A' ' 556' ' ' ILE . 0.8 OUTLIER -62.03 23.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.92 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.716 ' H ' ' C ' ' A' ' 555' ' ' ALA . 4.2 mt-10 -118.13 -74.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 83.2 mt 40.24 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 557' ' ' GLU . 18.4 mtpp -130.51 -101.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' A' ' 561' ' ' ASP . 2.0 t -62.05 -179.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.562 ' H ' ' HG1' ' A' ' 560' ' ' THR . 56.2 p-10 -74.91 153.47 38.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 12.2 p-90 -158.95 -52.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.602 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.4 p -47.89 -20.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.01 -47.28 62.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.65 -46.06 89.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 10.5 mp -61.35 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -61.04 -63.03 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -60.66 -70.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 51.4 tp -44.69 -22.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.8 -77.46 0.94 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 10.3 tp -50.39 -24.59 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.49 -61.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -88.79 179.99 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.8 ttt -173.42 -75.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -62.16 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 53.86 -140.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 164.36 -80.37 0.12 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -47.0 -41.88 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -48.5 -50.45 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 584' ' ' VAL . 90.6 t -53.69 -53.44 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -40.01 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.31 -41.89 85.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 581' ' ' VAL . 44.6 t -60.25 -48.18 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.64 -38.47 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.49 -35.59 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.498 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 590' ' ' ALA . 7.0 m -63.17 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.515 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 13.0 tt -41.45 -30.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -82.55 -35.9 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.342 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.71 -20.42 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.22 138.67 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -43.61 149.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.453 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 33.8 m170 55.37 81.08 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.42 49.37 2.05 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.853 2.369 . . . . 0.0 112.095 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.46 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.1 tpt -67.76 -22.15 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 599' ' ' ILE . 16.9 p -62.83 -0.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 595' ' ' MET . 8.0 t -37.88 -38.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.71 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 596' ' ' THR . 11.5 mm -59.56 -47.87 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.62 -36.91 25.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.45 -27.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.0 tp -74.97 -56.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -30.35 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.26 59.74 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.0 t -69.39 -27.12 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.487 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 85.5 m -141.55 119.76 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.18 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 608' ' ' TYR . 24.8 m-85 -79.65 58.85 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 94.0 m -49.97 -34.4 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 45.24 -166.77 0.04 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 24.7 p -77.78 155.73 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.661 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.702 0 CA-C-O 117.973 -1.46 . . . . 0.0 110.914 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.551 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.0 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -89.01 129.67 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 pt -135.44 144.39 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.595 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -97.05 142.93 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.78 106.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -88.27 127.38 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.68 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.553 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.0 p -94.58 145.04 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.347 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.29 39.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.553 ' H ' ' C ' ' B' ' 7' ' ' THR . 76.1 p -146.63 5.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.53 76.25 1.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -173.89 116.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -102.15 126.62 49.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -114.65 136.5 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.745 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.8 m -105.46 114.6 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.23 132.96 53.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -91.86 75.1 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' B' ' 1' ' ' MET . 11.5 m -98.25 -165.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.765 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.2 mt-10 -139.22 178.85 1.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.15 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.88 -28.25 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.835 2.357 . . . . 0.0 112.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.425 ' H ' ' HG ' ' B' ' 20' ' ' SER . 1.0 OUTLIER -91.68 19.41 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.63 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.61 131.32 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 2.4 p -83.41 143.79 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.578 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.413 HD11 HG21 ' B' ' 23' ' ' ILE . 31.2 mm -45.84 -47.71 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.395 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -50.57 -47.46 57.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.419 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 2.5 m-20 -58.29 -42.1 85.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.331 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.78 -54.45 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -50.69 -34.0 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.252 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.404 ' O ' ' OD2' ' B' ' 32' ' ' ASP . . . -65.18 -48.94 71.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -57.35 -36.1 70.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.02 -43.01 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.06 -34.93 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.398 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' B' ' 28' ' ' ALA . 27.4 m-20 -71.88 -33.95 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -71.57 -56.96 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -95.74 -83.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.1 6.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 58.7 mt -75.89 112.68 21.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.648 0.261 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.97 138.14 12.49 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.664 2.243 . . . . 0.0 111.818 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.26 -62.36 0.46 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.845 2.364 . . . . 0.0 111.952 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -39.9 -34.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -96.11 60.32 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 64.6 mt-30 -155.77 114.23 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.437 ' HE ' ' HE ' ' B' ' 72' ' ' ARG . 97.3 mtt180 -109.54 102.09 10.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.0 mt -88.21 125.06 34.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -116.51 140.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' B' ' 47' ' ' GLY . 86.2 t80 -163.51 160.85 23.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.439 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . 64.73 -66.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 178.62 13.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 13.9 tttm -152.65 -174.01 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 67.4 mt-30 -93.92 154.16 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.4 129.22 39.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -80.13 150.67 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.603 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -77.43 99.45 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 152.52 -61.33 0.39 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.9 mmt-85 -46.33 169.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -112.57 163.09 14.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.49 -2.99 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -93.6 -14.27 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.615 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -83.15 -34.46 26.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -89.04 13.52 12.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 m120 55.32 29.35 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -76.91 104.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.67 -157.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.26 159.96 24.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.662 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.6 34.09 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -89.71 123.92 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.4 m -95.44 103.11 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.409 HD13 ' H ' ' B' ' 67' ' ' LEU . 0.8 OUTLIER -102.47 143.76 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -87.06 157.83 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.333 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 6.2 tt -144.88 122.31 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.14 117.69 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.389 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.63 133.82 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.64 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.437 ' HE ' ' HE ' ' B' ' 42' ' ' ARG . 83.6 mtt180 -66.42 85.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 12.5 mt 58.79 170.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.04 120.47 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.05 -74.35 1.14 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.828 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -113.33 116.89 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.84 153.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.705 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -112.05 154.24 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -130.16 103.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.126 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -92.17 134.88 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.754 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 7.1 p -103.93 158.97 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' C' ' 8' ' ' LEU . 4.4 mm? -71.06 50.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.514 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 62.6 p -151.6 1.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.74 77.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -83.95 151.48 25.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -141.11 136.76 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.48 125.36 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -96.03 119.99 35.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.63 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -88.17 125.89 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -143.28 -171.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.418 ' CB ' ' CD ' ' C' ' 19' ' ' PRO . 1.9 mt-10 -134.22 176.04 3.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.212 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.33 -25.26 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.788 2.325 . . . . 0.0 112.009 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -87.63 -5.06 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.699 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.64 135.75 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.617 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.7 p -89.69 153.42 20.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.746 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.438 HD12 HG23 ' C' ' 23' ' ' ILE . 28.2 mm -53.69 -46.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -53.35 -41.03 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.424 ' OD1' ' OG1' ' C' ' 22' ' ' THR . 2.9 m-20 -62.43 -46.59 87.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.246 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.66 -51.89 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.264 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -52.12 -36.25 50.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.124 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.76 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.185 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -59.88 -37.5 79.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -68.02 -31.22 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.36 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 44.9 tp60 -70.04 -34.7 73.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.46 -24.29 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -86.27 -67.18 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -78.41 -90.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.55 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.528 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 53.4 mt -88.08 108.86 23.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.654 0.264 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.47 137.26 11.42 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.65 2.233 . . . . 0.0 111.905 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -53.72 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.789 2.326 . . . . 0.0 111.974 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.44 -0.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.739 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' C' ' 38' ' ' PRO . 15.6 mm100 -126.46 50.33 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.1 mt-30 -147.97 168.72 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' C' ' 42' ' ' ARG . 3.3 tpm_? -162.86 114.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.3 114.5 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.534 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -112.68 142.56 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -147.68 125.83 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.15 33.51 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.05 37.12 50.25 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -140.91 115.14 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -78.11 134.09 37.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.14 126.77 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -76.65 158.12 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.24 99.29 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.21 -57.94 0.45 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -45.27 169.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.475 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 17.8 p -112.92 163.22 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.8 -8.11 26.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.475 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 59.4 p -87.6 -25.77 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.623 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.41 -41.24 80.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -86.09 11.18 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.431 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 55.86 20.36 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.95 99.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -81.28 -172.46 3.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.3 160.18 32.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.48 29.81 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -91.58 110.32 21.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.33 131.04 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -82.28 101.66 10.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -83.97 127.46 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.3 172.28 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' C' ' 71' ' ' LEU . 3.8 mm? -95.74 167.36 11.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.377 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -136.79 162.41 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -175.99 110.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -66.41 152.7 44.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.47 148.99 8.4 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -70.65 87.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -167.25 8.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.6 pt -56.8 -27.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 64.0 m -55.51 -53.71 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.7 m -49.13 -44.33 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.41 83.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -53.91 -65.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.21 -16.51 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.77 -68.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.75 99.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.1 tp -58.4 -46.17 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.566 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.41 -37.32 65.72 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 68.1 mt -91.91 -8.46 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.564 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . 0.525 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -71.14 -68.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.535 ' C ' ' H ' ' A' ' 499' ' ' GLY . 50.1 p90 -74.26 23.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -57.97 -2.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -70.09 -127.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.0 t -84.17 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.315 . . . . 0.0 110.535 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -160.8 92.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -57.21 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -172.8 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -75.31 -23.7 57.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.3 t -52.77 -65.19 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.323 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 7.2 mt -71.54 -20.12 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -74.58 -6.87 78.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 36.8 tp -128.06 -48.92 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.03 -45.15 74.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 2.7 tp -59.19 -58.82 16.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.22 -42.46 21.77 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.466 2.111 . . . . 0.0 111.586 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.72 -34.84 66.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.17 18.72 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.9 26.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.1 OUTLIER -72.71 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.404 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.5 OUTLIER -170.93 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 6.8 p-10 -158.52 -95.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.574 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 14.9 mt 59.32 147.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.13 169.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.776 2.317 . . . . 0.0 111.953 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.2 mt -96.98 -50.98 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.56 -36.73 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.617 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 20.6 p -72.91 -68.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.34 -31.52 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.35 -66.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.7 tpt -46.45 -39.47 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.58 -59.5 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' A' ' 528' ' ' LEU . 56.3 p -46.21 -36.46 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 527' ' ' SER . 1.3 tt -58.97 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.25 89.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -53.64 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -66.55 -50.95 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -41.62 -54.86 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.1 t -67.54 -56.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -76.89 27.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.4 p -64.89 -36.63 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -60.56 -90.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.9 t -67.86 -169.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 42.6 t -167.83 171.96 9.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.551 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 68.8 m-80 -160.44 165.12 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.23 -35.85 28.94 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -47.4 -42.81 22.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.59 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.43 -43.15 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 86.9 m -65.48 -66.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 80.5 p -39.99 -35.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.427 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 11.5 m -76.21 -55.88 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.314 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -32.21 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.403 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -68.18 -57.72 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -40.65 -38.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -48.7 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -47.46 -53.33 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.442 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.57 -42.19 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.506 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -87.4 30.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -137.21 77.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.496 ' C ' ' H ' ' A' ' 556' ' ' ILE . 72.3 p -93.38 136.77 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -54.58 -8.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.292 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.496 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -48.73 -30.55 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.5 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -82.26 -87.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 13.8 mt -102.48 175.46 5.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -172.9 91.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 0.0 OUTLIER -158.9 -100.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.559 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.54 ' N ' ' OG1' ' A' ' 560' ' ' THR . 46.9 m-20 -111.44 94.16 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.491 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 8.6 p-90 -156.07 -50.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 20.3 t -42.05 -44.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 567' ' ' ALA . 69.9 mtp180 -45.68 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -40.29 -62.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 566' ' ' LEU . 9.7 mp -43.46 -27.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.512 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 564' ' ' ARG . . . -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 568' ' ' LEU . 11.0 mp -50.98 -45.64 61.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.64 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.9 tp -43.66 -25.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.542 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.21 -70.35 1.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.66 -8.92 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 110.532 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.52 -20.8 14.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -116.52 162.12 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 77.6 mtp -83.35 22.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 83.92 -71.01 3.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.12 143.14 34.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 142.33 116.06 1.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -45.97 -25.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -44.73 -48.47 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.83 -44.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -47.35 -43.82 23.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.98 -48.15 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 65.0 t -44.65 -53.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 53.0 mt -57.13 -47.75 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.69 -36.05 34.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 590' ' ' ALA . 13.6 m -63.69 -51.54 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 95.1 mt -48.85 -28.7 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 39.5 t -81.01 -26.54 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -74.3 -26.39 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.3 tp -102.66 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 591' ' ' ILE . 36.2 mt-10 -53.73 -110.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.647 ' HD1' ' H ' ' A' ' 593' ' ' HIS . 0.7 OUTLIER 39.83 75.72 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.21 10.45 1.78 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.011 2.474 . . . . 0.0 111.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.3 mmt -95.58 -33.62 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.2 p -63.27 -13.89 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.4 p -43.18 -44.29 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.13 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.22 -40.21 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -55.04 -34.46 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.34 -51.81 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.46 -69.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.584 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 7.3 t -54.67 -28.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.2 -54.89 32.46 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 11.2 t -64.48 -68.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 69.1 m -82.25 118.92 23.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.18 -82.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.73 -4.45 43.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.8 m -65.83 -24.78 66.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -53.51 146.53 20.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 86.3 m -47.05 112.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -96.17 115.82 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.07 148.44 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.439 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 78.6 m-85 -105.08 129.98 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.11 99.83 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -76.85 119.92 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.658 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -91.66 141.95 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.9 -28.58 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -64.5 -36.47 84.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.75 70.54 0.2 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -175.94 122.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.6 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -97.73 111.82 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -96.34 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.439 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 3.4 m -101.06 122.88 44.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.184 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -126.5 137.61 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -86.53 112.75 21.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.8 -178.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.457 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 1.1 mt-10 -126.82 176.94 2.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.258 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.92 -26.29 11.24 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.762 2.308 . . . . 0.0 112.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.491 ' H ' ' HG ' ' B' ' 20' ' ' SER . 1.4 p -88.13 -0.46 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.4 m-20 -71.01 134.82 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -87.52 146.87 25.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.426 HG22 HD11 ' B' ' 23' ' ' ILE . 25.0 mm -48.37 -59.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -43.83 -36.01 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.76 -47.18 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.194 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.91 -47.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.24 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -54.97 -36.18 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.19 -50.91 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.86 -40.72 69.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.356 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.466 HD11 HG22 ' B' ' 30' ' ' ILE . 8.5 mt -63.1 -48.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.51 -38.81 60.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.491 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -75.22 -62.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -85.45 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.87 6.18 0.03 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.452 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 33.7 mt -79.81 132.01 62.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.607 0.241 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.71 143.23 33.44 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.629 2.219 . . . . 0.0 111.961 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.703 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.37 -50.56 10.05 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.865 2.377 . . . . 0.0 111.959 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 39' ' ' ASP . 0.8 OUTLIER -62.49 21.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.703 ' H ' ' C ' ' B' ' 38' ' ' PRO . 62.8 mt-30 -153.23 46.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -146.58 133.17 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -126.2 108.54 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.88 115.2 27.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.22 142.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -167.51 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.576 ' C ' ' H ' ' B' ' 48' ' ' LYS . . . -69.27 57.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.94 -4.94 0.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.576 ' H ' ' C ' ' B' ' 46' ' ' ALA . 34.6 mtpt -153.21 -166.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.65 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -92.99 145.41 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.31 131.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.72 158.65 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -75.88 125.27 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 125.36 -62.64 0.59 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.7 mmt180 -42.98 168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.517 ' C ' ' H ' ' B' ' 57' ' ' SER . 21.4 p -116.83 157.76 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.01 -0.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.517 ' H ' ' C ' ' B' ' 55' ' ' THR . 3.8 t -94.48 -35.95 12.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -38.92 88.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -87.0 4.81 40.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 60.0 26.57 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.651 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.5 97.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.436 ' O ' ' OG ' ' B' ' 65' ' ' SER . 36.4 mt-30 -72.55 -159.02 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -87.7 162.13 17.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 30.05 17.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.784 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 62' ' ' GLN . 1.4 m -83.01 131.85 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.37 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -94.78 105.24 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.27 174.89 7.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.427 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.43 100.87 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -85.59 132.84 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.03 106.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.569 ' H ' ' CD2' ' B' ' 71' ' ' LEU . 1.4 pt? -75.89 164.81 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -69.47 -109.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.456 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.427 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 42.1 mt -133.22 129.69 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -50.76 152.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.8 -98.79 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.931 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.531 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.21 110.45 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -106.5 153.2 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -109.84 153.19 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.692 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -131.95 101.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.22 136.78 33.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 53.7 p -102.01 142.04 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' C' ' 9' ' ' THR . 10.8 mp -68.83 64.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' C' ' 8' ' ' LEU . 7.2 m -166.2 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.15 68.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -173.02 131.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -116.75 119.71 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -101.48 124.75 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 35.4 m -92.4 126.24 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.26 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.84 130.94 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.79 119.7 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.214 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.4 m -140.15 -161.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.43 ' C ' ' SD ' ' C' ' 1' ' ' MET . 1.6 mt-10 -143.73 175.4 2.86 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.85 11.36 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.744 2.296 . . . . 0.0 112.111 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' C' ' 20' ' ' SER . 0.2 OUTLIER -88.84 2.59 53.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.69 137.56 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.509 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 6.8 p -87.49 142.74 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.428 HG22 HD12 ' C' ' 23' ' ' ILE . 23.5 mm -48.23 -50.6 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.09 -37.44 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.509 ' H ' ' HG1' ' C' ' 22' ' ' THR . 6.3 t30 -65.19 -43.99 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.295 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.59 -50.05 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -53.12 -41.49 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.253 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.83 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.261 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.25 -41.09 92.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.298 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.11 -38.91 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.82 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.78 -27.96 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -78.59 -63.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.0 -102.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.28 8.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 51.7 mt -82.11 129.97 61.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.68 0.276 . . . . 0.0 110.482 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -73.59 143.63 34.5 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.597 2.198 . . . . 0.0 111.939 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' C' ' 39' ' ' ASP . 2.7 Cg_endo -46.07 -67.04 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.846 2.364 . . . . 0.0 112.17 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' C' ' 38' ' ' PRO . 6.8 m-20 -35.41 -41.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.91 -45.06 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' C' ' 38' ' ' PRO . 73.3 mt-30 -46.37 168.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -170.08 99.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 mt -83.15 122.97 29.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 mt -122.74 132.73 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' C' ' 48' ' ' LYS . 70.5 t80 -132.58 135.83 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' C' ' 48' ' ' LYS . . . 44.15 43.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.52 -13.12 1.69 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' C' ' 46' ' ' ALA . 5.9 mtpm? -85.59 110.34 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -70.57 126.14 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.49 141.65 34.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -101.32 159.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.576 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.91 145.39 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 105.18 -58.67 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 53' ' ' GLY . 15.8 mmt180 -47.62 177.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.595 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.414 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 61.7 p -121.19 163.77 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.84 -7.23 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.414 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 13.0 p -88.72 -39.12 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.0 -39.19 71.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.21 -3.51 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.65 17.51 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.53 97.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -73.75 -172.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.86 159.32 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 60.65 28.94 18.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.1 m -84.75 126.87 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -88.29 100.0 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.4 125.23 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.23 107.48 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.44 129.34 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.498 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.6 t -141.63 174.95 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.604 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.498 ' H ' HG12 ' C' ' 70' ' ' VAL . 24.4 mt -113.73 149.68 34.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -108.18 158.82 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -173.21 98.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -69.31 176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.82 -148.72 5.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 485' ' ' ILE . 47.8 p -72.1 148.83 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -72.93 17.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . 0.521 ' H ' ' C ' ' A' ' 483' ' ' THR . 20.0 tt -46.6 -41.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 29.5 t -50.67 -58.13 6.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.6 p -47.29 -42.07 20.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -57.61 -35.73 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.45 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.0 mm -47.51 -46.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 34.9 tp -50.87 -45.96 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.12 -56.07 23.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 10.6 mp -47.96 -48.1 32.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.52 -37.6 26.49 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 67.3 mt -82.73 -12.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.28 -53.08 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . 0.518 ' C ' ' H ' ' A' ' 499' ' ' GLY . 13.5 m-85 -57.07 -20.92 27.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -65.85 5.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -87.38 -97.66 0.88 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.8 t -94.89 -18.94 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 6.3 ttpm? 58.64 80.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.506 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.548 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 5.9 t-20 -86.43 -166.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.548 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 24.8 t70 -99.33 6.87 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.77 -33.09 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 110.153 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.9 t -47.88 -62.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.78 -9.93 57.21 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 33.8 tp -129.41 -44.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.5 -52.25 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.618 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.4 tp -50.0 -59.87 6.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.857 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.618 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.6 -51.81 8.41 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.45 2.1 . . . . 0.0 111.614 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.19 -23.11 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.88 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.594 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -168.4 24.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.7 OUTLIER -69.95 -48.29 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.41 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 515' ' ' SER . 2.8 m -169.93 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -173.9 31.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.72 151.11 1.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.78 150.2 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.794 2.329 . . . . 0.0 111.932 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -69.28 -4.36 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.71 -78.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -39.8 82.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.407 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -44.02 -55.83 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.08 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 528' ' ' LEU . 21.6 mmt -41.82 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -42.87 -58.08 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 523' ' ' ALA . 14.8 m -51.5 -30.33 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.42 ' CB ' ' O ' ' A' ' 525' ' ' MET . 1.8 tt -58.69 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.11 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . 0.402 ' C ' ' CD2' ' A' ' 530' ' ' LEU . 2.0 tt -56.28 -68.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.4 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -44.84 -45.09 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 535' ' ' VAL . 89.3 t -76.37 -64.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -73.21 29.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.1 p -54.18 -29.12 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -96.86 -74.78 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.48 109.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.79 -178.26 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.508 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 52.3 t-20 -171.53 151.77 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.6 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -65.68 -45.48 88.86 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.493 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 59.3 m-20 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.512 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.81 -51.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 544' ' ' THR . 61.6 m -60.85 -67.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 543' ' ' THR . 50.8 p -38.13 -44.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' B' ' 73' ' ' LEU . 11.2 m -67.13 -52.62 39.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -26.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -68.37 -49.1 62.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.43 -43.21 67.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.62 -34.35 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.79 -30.81 61.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 553' ' ' ARG . 1.1 tt -62.38 -55.37 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -74.01 21.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 551' ' ' LEU . 47.1 ttp85 -121.26 104.08 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.667 ' C ' ' H ' ' A' ' 556' ' ' ILE . 72.4 p -109.41 136.75 48.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 558' ' ' LEU . . . -56.37 -0.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.227 0.537 . . . . 0.0 109.741 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.667 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -65.61 -30.84 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.438 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -93.68 70.29 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 555' ' ' ALA . 60.7 mt -77.57 111.17 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.465 ' O ' ' NE1' ' A' ' 562' ' ' TRP . 43.2 mtmt -146.26 107.22 4.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 1.2 m 59.05 167.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -80.19 147.21 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 560' ' ' THR . 12.6 p-90 179.09 -6.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -16.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.613 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -66.66 -75.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -48.92 -43.34 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.29 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.74 -51.99 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 571' ' ' GLY . 15.8 tp -46.01 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -41.4 -71.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.01 -21.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 568' ' ' LEU . . . -80.72 -74.18 1.14 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 pt -58.28 -11.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.85 -66.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.5 121.75 16.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 75.1 mtp -50.78 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -168.77 53.69 0.21 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -67.49 -140.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -161.95 -72.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.36 -28.8 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.514 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.3 -45.66 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.8 -48.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.08 -39.62 28.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.88 -44.65 84.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.77 -59.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.71 -46.39 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . 0.493 ' OE1' ' ND1' ' B' ' 68' ' ' HIS . 4.6 tm-20 -57.59 -36.9 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' B' ' 68' ' ' HIS . 26.8 m -65.78 -53.17 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -46.99 -29.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 68.8 m -75.5 -39.99 57.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.64 48.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 69.6 mt -103.34 78.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 55.86 -139.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.604 ' N ' ' HD1' ' A' ' 593' ' ' HIS . 0.6 OUTLIER -169.73 73.31 0.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.649 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.64 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.964 2.443 . . . . 0.0 112.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 52.8 mtp -84.41 18.93 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -74.82 -13.64 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 30.2 t -41.96 -45.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.53 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.38 -33.56 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -59.04 -38.47 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.01 -32.11 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.19 -67.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.26 -30.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.79 -51.92 54.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 79.8 p -54.8 -46.13 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 11.2 t -79.64 119.86 23.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 173.53 -174.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -56.36 140.0 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.409 ' HG1' ' H ' ' A' ' 610' ' ' GLY . 28.3 p -74.99 -81.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.409 ' H ' ' HG1' ' A' ' 609' ' ' THR . . . -165.06 125.62 1.39 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 94.6 m -60.93 -51.55 68.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.9 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.509 ' N ' ' O ' ' B' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.439 ' O ' ' OE1' ' B' ' 64' ' ' GLU . 78.0 mt-30 -91.13 106.6 18.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -101.02 150.42 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.41 140.42 37.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.67 102.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.251 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -83.93 119.26 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -91.58 142.17 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -24.52 63.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.501 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -77.23 0.81 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.28 79.35 0.99 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -172.6 113.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.7 m -94.28 118.54 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.9 136.85 43.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.642 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -104.87 121.08 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.5 133.93 47.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -81.51 124.73 29.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.449 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' B' ' 1' ' ' MET . 8.7 m -147.59 176.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.59 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 21.1 mt-10 -133.3 152.78 80.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.337 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 -34.54 10.01 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.889 2.392 . . . . 0.0 112.188 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -35.09 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.712 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.0 m-20 -42.54 138.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 25' ' ' ASN . 5.4 p -93.77 140.46 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mm -41.53 -49.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -52.61 -39.81 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' B' ' 22' ' ' THR . 21.9 t-20 -61.66 -45.92 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.07 -50.81 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -49.91 -42.11 47.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.91 92.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.38 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -56.14 -41.86 76.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.88 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.69 -32.34 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -76.32 -30.08 57.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -76.16 -61.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.08 -79.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.495 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.85 -0.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -70.9 126.52 92.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.37 142.06 32.81 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.588 2.192 . . . . 0.0 111.898 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.575 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.9 Cg_endo -46.22 -56.63 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.799 2.332 . . . . 0.0 111.995 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.13 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.575 ' H ' ' C ' ' B' ' 38' ' ' PRO . 80.3 mm-40 -127.14 65.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.537 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -151.73 152.19 32.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -145.56 102.12 3.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.519 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 14.1 mt -97.26 128.02 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.7 mt -123.54 141.9 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.652 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.4 t80 -130.75 177.39 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.652 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -33.76 -38.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -75.85 -90.13 0.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.455 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 49.7 tttt -153.61 -141.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.455 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 9.2 tp-100 -84.21 132.49 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.457 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.71 125.74 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -83.5 159.78 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.92 159.82 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.14 -59.97 4.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 53' ' ' GLY . 11.5 mmt180 -42.86 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.603 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.552 ' C ' ' H ' ' B' ' 57' ' ' SER . 30.8 p -116.43 158.48 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.49 2.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.552 ' H ' ' C ' ' B' ' 55' ' ' THR . 38.4 t -96.38 -29.4 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -72.08 4.66 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' B' ' 57' ' ' SER . 76.7 m-85 -131.49 8.37 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 55.98 24.77 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.653 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.92 102.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -83.2 -162.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -80.54 157.38 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 2' ' ' GLN . 5.7 mm-40 60.1 25.73 15.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -82.05 131.67 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.11 121.41 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.22 120.69 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.493 ' ND1' ' OE1' ' A' ' 586' ' ' GLU . 0.2 OUTLIER -76.12 104.19 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.77 134.85 36.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.37 140.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 8.6 mp -83.68 134.38 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HE ' ' NE2' ' B' ' 40' ' ' GLN . 54.5 ttm-85 -42.7 -66.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 545' ' ' SER . 56.3 tp -174.3 88.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.493 ' NH2' ' OD1' ' A' ' 541' ' ' ASP . 35.0 ttp85 -93.03 81.88 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.89 -119.27 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 117.949 -1.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.578 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -114.38 107.36 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.38 152.75 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -111.68 149.71 31.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.25 103.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.319 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -83.38 147.14 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.514 ' C ' ' H ' ' C' ' 9' ' ' THR . 15.3 p -125.6 146.74 49.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -70.77 42.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' THR . . . . . 0.514 ' H ' ' C ' ' C' ' 7' ' ' THR . 49.2 p -151.47 33.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.61 71.73 0.65 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -169.61 126.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 11.8 m -121.41 115.6 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -96.09 134.71 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -100.73 125.79 47.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.388 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -130.46 132.01 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.745 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.03 123.03 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -145.53 -174.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 7.0 mt-10 -138.76 147.79 55.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.294 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.8 -14.16 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.833 2.355 . . . . 0.0 112.252 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -92.69 -23.96 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -49.32 141.29 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.343 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.491 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.0 p -95.93 134.96 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.7 mm -35.57 -56.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -46.74 -43.89 18.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' C' ' 22' ' ' THR . 0.4 OUTLIER -59.68 -43.76 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -51.29 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.154 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -52.53 -33.39 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -46.98 73.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.378 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -59.1 -35.69 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 mt -68.91 -45.95 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -57.71 -31.5 66.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -75.96 -32.12 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -73.96 -51.85 14.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -97.99 -107.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.33 18.99 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.468 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 10.4 mt -94.15 103.28 10.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.28 147.35 2.45 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.587 2.192 . . . . 0.0 111.849 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.98 -67.38 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.829 2.352 . . . . 0.0 112.06 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' C' ' 40' ' ' GLN . 6.6 p30 -42.47 -29.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . 0.481 ' N ' ' OD1' ' C' ' 39' ' ' ASP . 59.6 mm-40 -95.09 53.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 64.4 mt-30 -154.06 161.76 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 66.8 ttt180 -158.55 104.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.75 131.07 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 58.3 mt -128.14 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.525 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -142.41 128.89 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.32 10.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.65 40.22 15.69 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -147.06 125.21 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 13.5 tt0 -70.89 135.94 48.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.81 117.94 29.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -72.59 157.98 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -83.3 163.89 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.09 -33.63 3.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -77.06 169.88 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.456 ' HG1' ' CG ' ' C' ' 58' ' ' ASP . 22.9 p -108.97 164.25 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.17 -35.6 75.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -66.62 -18.3 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . 0.456 ' CG ' ' HG1' ' C' ' 55' ' ' THR . 8.2 m-20 -77.67 4.03 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.637 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -133.63 12.66 4.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 64.48 9.31 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.78 99.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.65 -158.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.676 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -85.71 159.09 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 53.86 30.16 11.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 43.1 m -78.53 129.95 35.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 30.4 m -89.84 99.23 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -80.98 168.61 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -121.78 103.03 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.3 135.1 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.08 153.84 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -110.82 104.63 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.7 179.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp -171.35 147.15 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -56.29 161.43 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.26 -143.07 3.56 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 10.1 t -161.69 -34.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 44.6 mttm 51.43 95.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.25 -22.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 41.1 m -60.4 -39.73 88.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 75.3 p -63.65 -51.57 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.63 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 97.2 mt -50.11 -23.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -57.15 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.5 -30.58 56.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.08 -51.45 64.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.54 -34.64 49.84 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 76.3 mt -76.11 -20.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.91 -39.64 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.55 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -100.39 41.48 2.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 6.4 t -161.52 -66.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.1 tttt 65.74 65.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.8 t-20 -91.59 -168.49 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.654 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' ASP . . . . . 0.529 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 2.8 p-10 -106.66 -12.49 15.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -78.27 -20.26 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.268 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.7 -45.67 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.48 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 3.6 mt -90.43 -18.97 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.71 -11.95 69.81 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.37 -44.12 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 110.672 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.51 -54.88 10.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.2 tp -47.42 -58.65 6.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.421 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.68 -50.33 11.76 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.417 2.078 . . . . 0.0 111.455 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . 0.446 ' O ' ' CD2' ' A' ' 518' ' ' LEU . 60.9 mt -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.234 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -111.89 18.04 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.425 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . 178.86 70.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.488 -175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 52.0 p -148.8 12.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 73.92 104.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 35.1 t0 62.81 115.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.424 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 512' ' ' ILE . 0.8 OUTLIER -167.14 156.84 9.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.07 129.98 8.1 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.91 2.407 . . . . 0.0 112.029 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 8.6 tt -79.93 -13.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 523' ' ' ALA . 30.1 mt-10 -74.08 -74.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.626 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 80.2 p -64.39 2.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.702 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 521' ' ' GLU . . . -69.24 -68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -62.75 -55.6 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.6 mtt -43.28 -44.84 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 528' ' ' LEU . . . -57.99 -59.74 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 28.5 p -48.92 -15.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 526' ' ' ALA . 1.3 tt -78.48 -58.06 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.93 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.654 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.34 -75.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -39.65 -41.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.73 -49.45 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.542 ' C ' ' H ' ' A' ' 535' ' ' VAL . 74.7 t -76.54 -59.42 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.649 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -67.52 10.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.0 p -45.82 -41.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -75.0 -54.28 5.83 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 47.3 p -68.1 -172.8 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 13.6 t -173.86 137.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 10.7 m120 -149.12 129.89 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -54.71 -36.96 60.29 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . 0.424 ' O ' ' OG ' ' A' ' 545' ' ' SER . 42.2 m-20 -46.21 -40.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 542' ' ' ILE . 90.9 mt -58.27 -46.01 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 16.5 m -63.86 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.5 p -42.18 -35.0 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 541' ' ' ASP . 13.7 m -74.84 -50.94 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.322 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -36.39 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.0 tpt -66.01 -42.22 89.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.458 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.15 -42.86 63.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 553' ' ' ARG . 2.8 t-20 -63.87 -52.36 60.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -41.47 -31.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.24 -63.53 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 1.1 mm-40 -81.69 18.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 549' ' ' ASN . 13.6 tpt180 -48.44 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 556' ' ' ILE . 46.9 p 52.5 -146.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 47.5 9.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.01 0.433 . . . . 0.0 110.055 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ILE . . . . . 0.628 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -68.02 -11.44 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.545 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -72.53 -14.14 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 559' ' ' LYS . 10.0 mt -95.23 109.1 21.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 558' ' ' LEU . 42.4 mttm 59.77 128.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 561' ' ' ASP . 81.3 p -78.64 -162.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 560' ' ' THR . 18.3 t70 54.46 107.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' TRP . . . . . 0.4 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 57.0 p-90 -165.03 -41.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' VAL . . . . . 0.4 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 7.4 p -54.29 -25.42 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -63.6 -71.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -55.65 -48.84 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.37 -48.35 62.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.42 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.02 -48.99 77.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -61.76 -75.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 46.8 tp -42.63 -21.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.93 -75.81 0.93 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.04 -28.99 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.5 tp -44.58 -52.58 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.11 101.6 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -85.47 -31.62 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.88 177.16 52.22 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -150.51 119.53 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.27 -168.78 35.58 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -49.66 -35.34 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -42.72 -39.29 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.38 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.9 OUTLIER -42.77 -44.48 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.84 -48.79 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.4 t -46.68 -54.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.82 -51.06 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.52 -34.92 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 590' ' ' ALA . 8.1 m -68.07 -52.03 39.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . 0.573 ' CG2' ' HG1' ' A' ' 596' ' ' THR . 97.1 mt -46.64 -27.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.421 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.7 t -80.12 -35.08 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.55 -25.41 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 44.1 mt -95.43 146.05 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.67 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' A' ' 595' ' ' MET . 12.1 t60 54.25 77.38 0.44 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.597 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.79 15.12 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.904 2.403 . . . . 0.0 111.973 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.0 tpt -73.65 -29.46 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.482 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.573 ' HG1' ' CG2' ' A' ' 588' ' ' ILE . 39.0 p -59.65 -3.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.7 t -42.82 -32.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.79 -39.44 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 596' ' ' THR . 76.7 mt -69.7 -25.82 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.19 -39.13 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.62 -52.71 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.37 -69.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.64 -45.85 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.45 -42.82 57.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 t -65.27 -44.94 86.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 28.1 t -80.3 120.22 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.22 173.21 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 610' ' ' GLY . 43.9 p90 -52.21 141.57 18.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' THR . . . . . 0.504 ' HG1' ' C ' ' A' ' 608' ' ' TYR . 82.8 p 49.11 -87.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 166.67 -99.95 0.16 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 62.9 p -71.49 135.37 47.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.565 ' N ' ' O ' ' B' ' 17' ' ' VAL . 20.9 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -85.53 106.44 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -112.73 152.2 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.495 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -104.4 153.77 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.68 104.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -88.96 131.85 34.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.465 ' C ' ' H ' ' B' ' 9' ' ' THR . 17.9 p -100.21 143.72 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.468 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -0.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.465 ' H ' ' C ' ' B' ' 7' ' ' THR . 51.7 p -91.95 -34.89 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.2 71.21 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -174.74 137.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -113.72 120.02 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.556 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.38 140.61 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -110.63 123.58 50.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.21 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -126.85 137.44 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.19 109.78 21.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.4 m -131.6 -168.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.755 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.585 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 10.9 mt-10 -142.07 150.2 55.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.329 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.65 -42.69 18.93 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.049 2.499 . . . . 0.0 112.572 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.3 t -72.58 -5.18 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.319 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.585 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.5 m-20 -67.7 137.7 55.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.658 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -87.37 139.37 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -45.41 -48.05 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.355 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -50.92 -44.64 60.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.219 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.522 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 10.5 t-20 -59.66 -40.49 87.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.269 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.23 -48.31 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -53.52 -41.14 66.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.177 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.35 97.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.522 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 55.1 mttp -58.18 -45.14 88.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.406 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.36 -39.21 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -60.16 -40.48 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.28 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -73.69 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.32 -88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.06 16.84 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.533 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 15.8 mt -80.36 112.33 29.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.66 0.267 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.45 134.15 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.568 2.179 . . . . 0.0 111.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.3 -39.72 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.674 2.25 . . . . 0.0 111.989 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.4 15.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' B' ' 38' ' ' PRO . 18.1 mt-30 -147.74 55.78 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 72.2 mt-30 -149.09 93.7 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -89.89 104.31 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -98.91 130.9 45.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.5 mt -131.18 141.02 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 57.6 t80 -131.71 170.89 14.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.678 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -31.65 -50.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.28 -88.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' B' ' 49' ' ' GLN . 19.2 tttm -152.86 -143.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.305 . . . . 0.0 110.505 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.426 ' H ' ' HG2' ' B' ' 48' ' ' LYS . 7.6 tt0 -88.07 133.89 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.07 102.63 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.79 158.63 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.46 172.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 72.18 -71.05 1.0 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLY . 14.4 mmt180 -40.93 164.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -114.15 166.97 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.5 -16.39 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.539 ' C ' ' H ' ' B' ' 59' ' ' TYR . 26.4 p -76.35 -33.61 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.51 16.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' B' ' 57' ' ' SER . 73.3 m-85 -138.94 1.75 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.402 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 2.5 m120 62.8 26.11 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.689 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 107.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.401 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -87.32 -159.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -86.68 161.24 18.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 56.63 25.61 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.74 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -77.89 166.63 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.396 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -122.46 102.33 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.659 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -87.02 161.4 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -119.94 105.22 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.461 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.402 HD13 ' H ' ' B' ' 70' ' ' VAL . 59.9 tp -89.0 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.402 ' H ' HD13 ' B' ' 69' ' ' LEU . 91.5 t -149.32 106.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.62 ' H ' ' CD2' ' B' ' 71' ' ' LEU . 1.8 pt? -85.21 147.78 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -67.17 -177.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -53.9 120.28 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -47.73 151.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.67 75.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.025 -1.43 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.574 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -101.32 112.34 24.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -104.07 152.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -107.28 153.72 22.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -129.1 100.69 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.232 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -83.69 133.14 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.727 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p -83.88 -138.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.82 38.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -152.86 -27.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.68 70.89 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -171.85 137.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.561 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -131.39 109.18 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.59 139.43 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m -103.31 112.91 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.329 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.47 128.19 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.11 113.72 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.1 m -136.34 -175.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -135.44 178.99 1.5 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.117 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.62 -25.2 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.749 2.299 . . . . 0.0 112.229 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.1 p -89.17 -5.46 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -66.24 139.0 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.466 ' HG1' ' H ' ' C' ' 25' ' ' ASN . 3.7 p -90.26 139.55 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.694 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ILE . . . . . 0.433 HG21 HD11 ' C' ' 23' ' ' ILE . 23.4 mm -45.51 -51.63 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.298 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.95 -42.93 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.276 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ASN . . . . . 0.466 ' H ' ' HG1' ' C' ' 22' ' ' THR . 2.7 t30 -59.88 -48.02 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.44 -49.02 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.193 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.49 -33.11 59.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.208 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.17 -47.86 72.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.405 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.12 -38.02 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.21 -39.81 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.458 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.25 -37.77 84.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.411 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.51 -27.45 63.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.518 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -77.04 -56.29 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -96.77 -93.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.26 12.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 18.4 mt -79.76 111.54 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.632 0.253 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.63 138.07 14.87 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.53 2.154 . . . . 0.0 111.79 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.41 -39.14 21.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.736 2.29 . . . . 0.0 111.957 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.24 -58.08 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.697 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -58.41 -42.2 86.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.657 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.561 ' O ' ' NH1' ' C' ' 42' ' ' ARG . 76.4 mt-30 -44.58 151.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.619 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ARG . . . . . 0.561 ' NH1' ' O ' ' C' ' 41' ' ' GLN . 6.4 tpp180 -149.84 106.65 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -94.58 120.62 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -125.52 127.79 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -138.66 148.23 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.6 37.57 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.47 44.94 95.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -157.06 131.16 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.57 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -72.69 135.18 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.76 132.83 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.04 158.66 19.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -78.9 158.1 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 88.5 -60.96 3.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.1 mmt180 -42.61 169.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' THR . . . . . 0.54 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.9 p -117.4 157.97 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.72 0.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' SER . . . . . 0.54 ' H ' ' C ' ' C' ' 55' ' ' THR . 7.0 t -97.31 -10.74 25.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -86.91 -38.84 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -83.54 2.18 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 68.66 8.71 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -53.01 113.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.29 -162.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -86.02 158.21 19.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 55.7 32.75 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -83.85 141.91 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -89.86 107.62 19.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.38 114.39 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.77 108.0 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.473 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -91.87 129.28 37.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.539 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.459 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.9 t -141.01 172.5 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.459 ' H ' HG12 ' C' ' 70' ' ' VAL . 9.5 mp -100.03 166.97 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -135.29 157.91 45.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -171.58 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ptt-85 -44.58 157.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.46 127.51 0.89 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.758 0.313 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.1 mm -43.98 -32.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.98 -56.29 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.1 -56.33 23.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 496' ' ' ALA . 11.0 mp -45.88 -57.6 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -43.99 -36.78 3.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.29 -16.99 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.667 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -67.52 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -79.1 27.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.01 89.81 0.59 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 21.5 p -165.25 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.337 . . . . 0.0 110.571 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 501' ' ' LYS . 24.9 mtmm 55.48 57.6 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 25.5 t-20 -76.21 -150.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.502 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 17.1 m-20 -123.02 -24.67 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.37 -17.76 61.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.6 OUTLIER -65.88 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -64.39 -10.36 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.348 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.77 67.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 508' ' ' LEU . 0.8 OUTLIER -102.0 -28.53 12.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.87 -45.64 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.678 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.546 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.4 mt -48.13 -66.05 0.64 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.649 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.0 -53.5 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.68 2.253 . . . . 0.0 111.734 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.417 ' O ' HD22 ' A' ' 518' ' ' LEU . 4.5 mm -42.62 -31.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.73 36.85 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -157.37 -33.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.564 ' O ' ' OG1' ' A' ' 516' ' ' THR . 0.6 OUTLIER -38.28 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.633 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 515' ' ' SER . 4.9 m -172.23 98.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.736 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 516' ' ' THR . 13.9 t70 52.61 113.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' NH1' ' A' ' 553' ' ' ARG . 4.0 mp -137.58 148.04 59.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.48 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.76 121.74 3.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.858 2.372 . . . . 0.0 111.954 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 520' ' ' ILE . 68.9 mt -55.92 -6.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 519' ' ' PRO . 39.6 tp10 -64.09 -54.32 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 38.2 m -99.4 -32.32 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.622 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.96 -65.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.28 -65.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.8 mtt -39.87 -67.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 27.1 t -41.58 -50.92 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -48.61 -61.64 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.55 -49.95 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.5 tt -44.42 -57.97 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.44 -39.04 93.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.9 -53.06 10.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 535' ' ' VAL . 69.1 t -70.08 -63.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.512 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -75.84 31.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -62.13 -33.2 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.633 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -73.71 -81.63 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.6 t -67.92 -171.2 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.521 ' N ' ' OG1' ' A' ' 537' ' ' THR . 28.2 p -173.08 -177.33 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -167.16 170.4 11.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.62 -53.17 6.07 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -39.54 -45.67 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.95 -52.35 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.425 HG21 ' OH ' ' A' ' 574' ' ' TYR . 12.1 m -62.35 -63.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.9 p -40.18 -36.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 548' ' ' ASP . 8.0 m -76.44 -66.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.249 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -39.68 -30.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 545' ' ' SER . 4.0 tpt -72.55 -47.9 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 545' ' ' SER . 78.6 m-20 -48.05 -37.51 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 552' ' ' GLU . 53.5 t-20 -69.65 -52.41 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.459 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -40.89 -35.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.5 mp -76.97 -41.86 41.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.483 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 56.2 mm-40 -75.3 14.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 561' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -146.63 -12.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 563' ' ' VAL . 7.0 p -52.96 -15.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -70.92 -37.76 72.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -81.19 -60.67 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.3 mp -43.51 -46.13 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.33 51.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.3 tp -46.66 -72.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.525 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.89 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.4 tp -41.18 -23.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -75.62 -75.96 0.81 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.8 mt -50.71 -27.2 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 49.2 tp -46.28 -26.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 543' ' ' THR . 54.5 m-85 -118.0 163.39 16.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ptm -173.86 -14.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -77.34 -150.6 4.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -149.82 144.01 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.708 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 140.35 69.63 0.04 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 578' ' ' GLY . 7.0 mp0 25.97 34.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.708 ' N ' ' O ' ' A' ' 578' ' ' GLY . 54.5 mt-30 -69.69 -63.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.77 -28.27 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -58.91 -49.44 77.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.7 -42.71 99.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.486 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.1 t -51.8 -56.02 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.8 mp -53.99 -40.53 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.42 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -54.17 -39.36 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.33 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 590' ' ' ALA . 40.1 m -61.97 -55.77 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.08 -28.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.297 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 46.5 t -86.46 -29.51 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.92 -36.25 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.327 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 592' ' ' GLU . 13.6 pt -89.44 -157.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 591' ' ' ILE . 22.1 mt-10 -59.31 -147.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 3.1 p-80 -157.47 68.31 4.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 593' ' ' HIS . 3.1 Cg_exo -75.85 -158.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.939 2.426 . . . . 0.0 111.915 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.49 -19.0 63.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.5 m -49.53 -26.36 3.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 80.8 p -43.01 -37.98 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -53.33 -39.05 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.25 -40.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -50.55 -31.95 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.32 -49.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.5 tp -47.51 -62.41 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.29 -52.87 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -44.69 -31.92 2.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 20.9 t -76.59 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.499 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 46.6 t -74.98 119.15 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 177.39 160.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -94.37 121.25 35.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -126.73 151.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.493 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 92.1 m-85 -108.14 141.27 40.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.604 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -120.25 103.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -89.11 117.65 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.719 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.18 142.56 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.505 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -53.19 -45.3 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -46.33 -62.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.78 82.12 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -175.11 159.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -136.75 104.59 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.55 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.744 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.493 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 51.1 m -109.2 125.35 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -120.47 158.22 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.717 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -111.0 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' B' ' 56' ' ' LEU . 9.7 m -98.19 -174.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.768 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 50.6 mt-10 -135.58 146.6 58.14 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.24 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.0 -23.51 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.902 2.401 . . . . 0.0 112.297 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 22.83 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.3 m-20 -96.17 133.1 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.5 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.1 p -82.21 139.12 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 21.5 mm -40.92 -50.49 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.62 -39.32 57.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 22' ' ' THR . 14.8 t-20 -63.21 -41.27 99.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.325 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.01 -50.08 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -52.81 -38.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.3 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.79 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -56.61 -38.74 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.75 -45.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -55.22 -34.93 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.32 -29.28 61.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -74.08 -57.79 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -97.7 -81.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.73 12.49 0.05 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.514 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 43.6 mt -79.86 113.18 35.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.652 0.263 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.19 138.47 13.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.53 2.154 . . . . 0.0 111.919 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.61 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.724 2.283 . . . . 0.0 111.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.5 -34.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -95.49 59.82 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 70.5 mt-30 -153.01 106.32 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -103.41 103.72 13.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.64 131.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.75 147.67 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.449 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.5 t80 -137.71 177.22 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.639 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -34.89 -34.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.6 -89.56 0.53 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 16.6 ttmt -153.43 -142.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.538 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 48.9 tt0 -84.12 131.43 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.421 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.6 mt -83.1 128.41 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.7 mp0 -80.12 159.52 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.02 110.23 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 145.66 -66.32 0.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -46.17 175.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 p -115.71 169.44 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' B' ' 17' ' ' VAL . 72.4 mt -69.97 -10.61 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.1 p -88.49 -11.93 44.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -82.34 -39.96 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -86.03 5.97 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.27 35.28 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.94 101.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.2 -157.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.65 160.53 19.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 59.3 35.18 23.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -94.47 130.74 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.8 m -94.32 105.27 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.56 123.27 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.34 101.36 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.459 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.27 131.85 39.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.31 135.9 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.401 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.662 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.3 mp -79.54 125.56 29.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.567 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 73' ' ' LEU . 53.7 ttt85 -81.91 75.57 8.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' B' ' 72' ' ' ARG . 8.7 mt 58.8 148.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 73' ' ' LEU . 93.1 mtt180 -41.93 163.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.62 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.419 ' O ' ' OXT' ' B' ' 76' ' ' GLY . . . -160.38 106.88 0.3 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLY . . . . . 0.419 ' OXT' ' O ' ' B' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.02 -1.433 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.9 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -95.25 112.28 24.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -114.92 155.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' C' ' 14' ' ' THR . 68.6 m-85 -113.06 146.02 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.76 107.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.41 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -86.02 134.1 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.498 ' C ' ' H ' ' C' ' 9' ' ' THR . 67.8 p -85.49 163.58 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' C' ' 8' ' ' LEU . 0.1 OUTLIER -71.03 40.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.498 ' H ' ' C ' ' C' ' 7' ' ' THR . 3.2 m -153.18 -57.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.21 -51.56 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -43.63 137.44 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.454 HG22 ' N ' ' C' ' 13' ' ' ILE . 31.8 m -123.26 157.61 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' C' ' 12' ' ' THR . 3.4 mt -131.08 138.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.548 ' C ' HD22 ' C' ' 15' ' ' LEU . 8.8 m -105.84 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.85 ' N ' HD22 ' C' ' 15' ' ' LEU . 2.5 mm? -101.53 127.44 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.478 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -88.87 82.28 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.291 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -106.97 -166.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.462 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -136.35 178.07 1.91 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.061 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.58 -26.18 12.06 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.29 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 16.59 13.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.5 m-20 -87.68 138.76 31.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.2 p -87.41 141.45 28.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -46.2 -53.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -44.76 -43.79 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.174 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 40.4 t-20 -59.92 -47.78 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -54.33 -51.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.163 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -51.82 -35.31 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.091 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.51 -46.4 86.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.09 -29.94 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.312 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.81 -39.34 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.381 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.38 -35.76 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.406 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.08 -31.05 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.633 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -76.12 -63.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.08 -90.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 165.64 3.98 0.04 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 34.0 mt -79.35 131.5 65.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.618 0.247 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.12 143.55 36.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.551 2.167 . . . . 0.0 111.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.553 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -45.86 -61.67 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.792 2.328 . . . . 0.0 111.96 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -41.33 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' C' ' 38' ' ' PRO . 82.9 mt-30 -112.13 54.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -146.78 168.11 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.645 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -171.09 103.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 mt -85.26 128.61 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.474 HD13 HE21 ' C' ' 49' ' ' GLN . 7.9 mt -125.2 139.84 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -144.92 134.7 23.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.14 25.94 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 51.27 10.74 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.64 135.95 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.474 HE21 HD13 ' C' ' 44' ' ' ILE . 26.0 mp0 -74.32 135.95 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 mt -93.78 105.85 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.58 154.74 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.58 173.97 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.24 -41.99 2.97 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.44 170.86 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -116.5 167.07 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.6 mt -69.26 -5.3 22.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -88.46 -29.68 19.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.31 -39.41 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -87.77 8.5 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 58.34 16.69 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.46 101.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.393 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' C' ' 65' ' ' SER . 37.8 mt-30 -81.2 -157.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -86.31 160.44 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 59.2 32.17 21.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' C' ' 62' ' ' GLN . 1.3 m -89.11 126.98 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -90.48 96.84 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.59 129.91 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -82.33 99.66 9.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.1 133.74 36.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.496 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.2 t -141.01 168.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.496 ' H ' HG12 ' C' ' 70' ' ' VAL . 22.4 mt -115.39 99.38 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' C' ' 73' ' ' LEU . 45.0 ttt85 -58.84 162.38 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' C' ' 72' ' ' ARG . 6.4 tp -156.61 141.75 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -62.98 -178.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.16 -133.62 1.75 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.7 mm -53.24 -40.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.94 -50.77 6.05 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 18.2 tp -61.41 -34.41 75.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.51 18.31 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.5 tt -76.05 -12.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -62.56 -63.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.631 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.6 p90 -79.17 18.89 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -44.85 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.67 88.34 1.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.2 m -154.45 -66.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.3 tttm 58.84 44.2 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -83.27 -150.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -88.96 -41.33 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 3.1 t -48.32 -51.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.375 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.6 mp -86.64 -19.91 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.43 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.87 -4.82 55.91 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.9 -42.91 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.15 -58.67 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.9 tp -45.08 -59.97 3.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.25 -49.82 11.0 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.538 2.159 . . . . 0.0 111.667 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.09 -20.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.51 7.37 17.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.488 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.411 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -137.19 2.71 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 511' ' ' PRO . 27.3 t -59.0 -85.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 515' ' ' SER . 3.6 m -168.0 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.8 114.06 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -152.26 158.66 33.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.431 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.88 111.75 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.893 2.395 . . . . 0.0 112.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.18 -38.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.23 -39.55 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 55.3 p -84.0 -64.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.528 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.54 -24.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.8 mtt -54.33 -23.35 14.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.26 -66.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 55.0 p -51.88 -25.91 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -63.57 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.26 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -59.27 -54.39 47.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.47 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -53.22 -46.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.21 -49.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.1 13.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.5 -35.38 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.23 -50.22 5.9 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 30.4 p -82.1 -174.26 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 10.3 t -171.48 154.82 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 59.3 t-20 -167.07 134.54 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -57.85 -40.03 92.44 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.07 -35.73 5.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.0 -37.56 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -68.47 -47.17 67.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 40.8 p -51.61 -47.55 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 1.5 t -64.71 -50.9 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.189 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -28.48 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.8 tpt -72.13 -38.82 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.94 -36.68 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.462 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -68.14 -45.69 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.43 -32.22 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 553' ' ' ARG . 25.3 tp -74.02 -52.48 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.95 29.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.49 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.3 ttm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.445 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.426 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 13.7 p-90 -164.09 -41.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 38.8 t -47.15 -25.64 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -68.22 -43.03 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -62.09 -46.74 87.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.4 mp -57.85 -61.74 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -48.12 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 56.3 tp -45.88 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 43.7 tp -41.99 -21.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -81.91 -77.29 1.05 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.6 tt -46.14 -24.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -48.11 -27.29 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -109.17 132.11 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 16.7 mmt -84.99 10.47 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 84.1 57.25 2.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -63.43 -100.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.07 -101.39 0.14 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.74 -32.27 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 580' ' ' GLN . 0.4 OUTLIER -46.76 -57.43 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 584' ' ' VAL . 98.1 t -54.89 -49.81 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 581' ' ' VAL . 9.8 t70 -38.72 -44.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.87 -42.87 80.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 581' ' ' VAL . 46.6 t -52.76 -44.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.91 -44.86 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.22 -34.61 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 590' ' ' ALA . 17.2 m -67.49 -55.38 13.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 98.9 mt -43.86 -32.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 62.4 m -78.07 -32.04 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.19 -26.41 62.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 592' ' ' GLU . 7.5 mm -77.84 172.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 591' ' ' ILE . 93.3 mt-10 -46.65 -11.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 591' ' ' ILE . 37.5 t60 60.31 70.29 1.03 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.78 -153.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.919 2.413 . . . . 0.0 111.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 55.1 mtt -73.19 22.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 594' ' ' PRO . 12.1 t -74.31 -2.9 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.539 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.2 m -41.06 -37.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.89 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 90.9 mt -42.33 -30.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.23 -47.38 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.21 -58.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 602' ' ' LEU . 10.0 mp -49.98 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.6 t -49.96 -27.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.05 93.53 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 -70.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.8 120.61 26.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.27 -73.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.74 130.37 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.58 149.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.669 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.413 ' O ' HD12 ' B' ' 67' ' ' LEU . 98.0 m-85 -104.84 149.41 25.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.681 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.76 107.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.42 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -85.72 137.8 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.451 ' C ' ' H ' ' B' ' 9' ' ' THR . 40.1 p -103.41 142.03 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 41.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.451 ' H ' ' C ' ' B' ' 7' ' ' THR . 77.0 p -139.67 -32.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.36 62.75 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -174.77 131.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -108.5 156.47 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.46 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 13' ' ' ILE . 4.6 mt -137.24 130.35 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -100.73 128.03 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.74 133.43 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.777 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -92.49 76.84 5.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.262 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.7 m -97.2 -163.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.6 mt-10 -138.32 177.5 2.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.099 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.3 Cg_exo -75.32 -42.22 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.749 2.3 . . . . 0.0 112.175 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -71.42 -11.9 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.767 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.06 136.38 57.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.429 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.7 p -89.08 140.87 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -41.2 -55.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -49.15 -35.68 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.534 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 16.7 t-20 -64.9 -44.01 90.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.131 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.9 -40.05 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.181 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.237 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.2 mttp -58.14 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.88 -44.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.403 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -56.19 -35.9 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -72.04 -27.99 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.04 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -94.52 -95.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.66 15.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.557 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 32.2 mt -81.32 112.67 35.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.26 137.91 13.71 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.598 2.199 . . . . 0.0 111.944 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.34 -56.43 2.94 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.728 2.286 . . . . 0.0 111.96 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.81 -30.82 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -100.91 61.63 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 59.3 mt-30 -153.27 92.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -88.43 110.72 21.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.453 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.53 121.69 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.694 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.448 HG22 ' HB1' ' A' ' 590' ' ' ALA . 8.7 mt -117.99 142.33 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.462 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.9 t80 -147.8 112.16 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 590' ' ' ALA . . . 42.05 -85.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.623 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -42.03 -86.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 47.1 tttt -157.04 -141.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 49.3 tt0 -88.71 136.95 32.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.253 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 50' ' ' LEU . 5.7 mt -85.67 126.03 33.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -78.96 160.18 27.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -78.06 115.86 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.585 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 141.49 -66.83 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.7 mmt85 -45.56 174.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 50.6 p -116.33 170.49 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.4 mt -70.6 -0.3 8.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.9 m -93.17 -40.64 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.578 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -53.07 -38.16 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -88.44 8.26 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 53.55 36.05 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.728 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.21 101.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.413 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.71 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.61 159.77 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 63.59 31.37 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.697 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -91.19 123.69 34.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -93.45 94.69 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.512 ' H ' HD12 ' B' ' 67' ' ' LEU . 2.2 mp -86.38 141.21 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -85.99 141.26 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -128.2 131.26 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -137.91 116.53 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.599 ' O ' HD12 ' B' ' 71' ' ' LEU . 0.3 OUTLIER -75.27 161.88 28.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttt-85 -62.11 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -173.62 111.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -79.06 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.95 -73.12 0.47 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.418 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -103.43 121.04 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.88 149.43 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.21 147.47 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -125.06 102.61 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -85.52 126.3 33.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -84.52 155.7 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.364 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -71.71 49.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 26.0 p -149.82 -44.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.42 -28.33 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' C' ' 34' ' ' GLU . 37.0 ttpt -68.27 155.58 39.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -138.38 143.39 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.25 143.5 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -109.56 116.96 32.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.369 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.17 134.06 55.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.773 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -91.74 113.26 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.29 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -135.32 -165.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.516 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 13.4 mp0 -142.9 148.43 45.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.258 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -43.85 14.03 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.887 2.391 . . . . 0.0 112.224 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -39.92 92.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 14.7 m-20 -40.64 146.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 3.9 p -98.1 146.25 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.597 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.93 -51.15 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -48.59 -44.32 36.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.192 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.0 -40.02 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.02 -46.67 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -54.41 -39.83 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.08 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.393 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -57.38 -41.1 79.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.304 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.14 -45.22 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.411 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.05 -35.35 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.59 -36.64 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -68.76 -60.89 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.465 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' C' ' 11' ' ' LYS . 67.2 mm-40 -90.52 -95.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.52 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.81 23.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.44 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 81.5 mt -90.99 106.21 14.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.697 0.284 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.63 137.26 11.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.776 2.317 . . . . 0.0 111.979 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.32 -44.95 19.57 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.729 2.286 . . . . 0.0 112.014 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.39 9.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.71 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.529 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.0 mt-30 -137.02 54.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -150.77 177.57 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' C' ' 49' ' ' GLN . 51.6 ttm-85 -171.3 104.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -86.72 119.04 26.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 44' ' ' ILE . 6.1 mt -118.82 136.19 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.53 134.15 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 44.21 13.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 53.11 49.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -159.53 121.45 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' C' ' 42' ' ' ARG . 25.9 tt0 -73.57 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.44 122.05 30.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -78.69 158.96 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.59 162.99 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.46 -64.5 2.55 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -41.76 150.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 110.634 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.524 ' C ' ' H ' ' C' ' 57' ' ' SER . 30.9 p -98.93 157.25 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' C' ' 17' ' ' VAL . 97.9 mt -61.26 2.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.524 ' H ' ' C ' ' C' ' 55' ' ' THR . 38.1 t -96.15 -37.73 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -55.79 -41.53 74.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -83.79 6.11 22.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m120 56.61 29.83 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.51 98.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -77.66 -157.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -83.67 159.91 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.23 32.25 20.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -91.59 126.44 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 15.2 m -91.33 118.16 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.21 125.51 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -78.61 101.66 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 131.5 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.631 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.7 t -137.13 172.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.631 ' H ' HG12 ' C' ' 70' ' ' VAL . 25.1 mt -114.04 166.99 11.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ARG . . . . . 0.425 ' HB3' ' HE ' ' C' ' 42' ' ' ARG . 36.4 ptt180 -145.74 169.3 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' C' ' 74' ' ' ARG . 43.0 tp -169.38 148.74 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 73' ' ' LEU . 31.5 mtt-85 -41.17 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.54 -136.67 2.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.2 mm -51.09 -36.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 20.9 tp -52.59 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.62 -50.2 54.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.7 tp -46.49 -47.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.556 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.73 91.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.1 mm -80.58 -2.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -81.12 -75.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -77.5 20.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -45.78 -67.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.3 73.68 0.59 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 24.0 m -137.43 -62.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 56.33 68.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.0 t-20 -105.37 -148.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 20.0 m-20 -114.54 -14.65 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -81.08 -44.66 17.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.229 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.5 t -45.76 -55.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.69 -26.61 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.66 -4.68 54.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.57 -41.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.828 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -44.56 -60.34 3.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.685 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.88 -49.12 11.48 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.62 2.213 . . . . 0.0 111.737 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 518' ' ' LEU . 61.8 mt -56.87 -19.49 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 26.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.03 -38.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.56 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 514' ' ' ALA . 65.2 m -31.57 -64.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.469 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 23.6 m -153.36 -79.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 518' ' ' LEU . 21.2 t70 -146.46 -55.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 517' ' ' ASP . 2.7 mt 51.48 173.97 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.96 156.93 43.21 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.804 2.336 . . . . 0.0 112.031 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 522' ' ' THR . 61.2 mt -74.03 -39.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -41.21 -27.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 520' ' ' ILE . 68.1 p -108.65 -57.49 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 549' ' ' ASN . . . -44.12 -41.58 5.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 525' ' ' MET . . . -64.81 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 524' ' ' ALA . 21.6 mmt -37.85 -47.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.19 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.3 p -57.47 -21.95 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 528' ' ' LEU . 0.9 OUTLIER -74.95 -37.59 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -75.09 -44.08 49.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.98 -64.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -49.86 -51.07 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -41.18 -56.61 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.2 t -67.56 -55.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.55 30.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.6 p -70.33 -26.51 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.69 -67.09 1.58 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.7 p -68.78 -171.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 31.2 t -172.27 155.88 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -161.28 127.01 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -45.04 -35.16 4.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -50.13 -46.06 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.19 -37.23 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.3 m -66.64 -55.46 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.422 HG21 HD21 ' B' ' 71' ' ' LEU . 58.5 p -46.17 -31.12 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -56.4 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.02 -21.91 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.1 tpt -77.63 -58.07 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -44.35 -37.4 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.576 HD22 ' HB1' ' A' ' 523' ' ' ALA . 51.4 t-20 -68.54 -53.59 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -48.73 -32.46 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.3 tp -69.71 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 516' ' ' THR . 19.9 mt-10 -44.42 -37.85 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.84 0.352 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 46.6 p90 -161.07 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.482 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 5.8 p -53.3 -12.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.523 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -68.5 -44.85 73.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -78.13 -53.19 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.7 mp -49.07 -45.17 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.43 72.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.07 -58.33 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.98 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.5 tp -40.53 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.523 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.77 -77.69 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.7 tt -54.32 -13.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -45.2 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -55.77 117.08 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 12.6 tpt -92.52 -57.03 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -87.3 111.94 3.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -47.46 167.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 159.94 179.9 35.04 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -73.83 -15.79 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.74 -52.67 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 582' ' ' ASP . 7.7 p -49.1 -42.7 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.534 ' N ' HG13 ' A' ' 581' ' ' VAL . 33.9 t0 -53.6 -41.94 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.519 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.61 -41.79 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.02 -45.59 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -63.01 -49.32 75.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.444 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -49.22 -33.28 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.336 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 9.2 m -69.66 -47.46 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.433 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.2 mt -46.68 -36.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.7 p -74.42 -33.48 62.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -59.14 -22.11 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.511 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 37.9 pt -119.19 -163.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.06 174.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -143.66 74.29 16.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.52 -152.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.97 2.447 . . . . 0.0 111.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 26.2 mtt -69.4 37.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 594' ' ' PRO . 9.9 t -94.35 -7.53 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.3 p -45.31 -40.35 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.96 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 66.7 mt -74.48 -51.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -45.81 -62.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.48 -53.19 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -45.02 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.68 -40.13 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.09 -31.82 56.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 606' ' ' CYS . 33.4 p -79.4 -58.49 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' CYS . . . . . 0.437 ' N ' ' OG ' ' A' ' 605' ' ' SER . 41.9 t -74.8 124.29 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.81 -155.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 47.1 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' B' ' 2' ' ' GLN . 7.9 pt20 -85.59 122.5 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -123.2 144.87 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -98.94 142.47 30.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.89 104.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -90.13 119.93 30.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.719 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 9' ' ' THR . 26.6 p -89.66 143.28 26.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 42.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.478 ' H ' ' C ' ' B' ' 7' ' ' THR . 52.6 p -135.63 -15.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 65.48 0.63 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -173.99 141.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -120.45 132.34 55.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.412 HD13 HG21 ' B' ' 13' ' ' ILE . 5.2 mt -119.28 133.76 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.776 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.02 122.38 46.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -125.27 139.87 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' OE2' ' B' ' 18' ' ' GLU . 4.4 tm-20 -91.06 113.68 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.409 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.8 m -133.91 -170.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.686 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 20' ' ' SER . 49.9 mm-40 -138.59 144.02 40.52 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.367 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -9.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.869 2.379 . . . . 0.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -105.01 12.69 31.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.724 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 18' ' ' GLU . 3.6 m-20 -87.6 137.43 32.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 55.5 p -84.63 138.21 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -44.88 -40.41 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.372 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.01 -41.74 88.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.51 -40.73 97.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.2 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.72 -49.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.28 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -53.4 -40.16 64.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.28 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.71 83.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -55.9 -38.94 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.4 -49.58 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.422 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -53.44 -30.97 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -75.81 -30.43 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -77.39 -61.67 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -91.04 -109.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.22 25.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 71.2 mt -97.65 99.94 7.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.594 0.235 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.9 Cg_endo -44.77 144.21 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.723 2.282 . . . . 0.0 112.018 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.32 -66.96 0.13 Allowed 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.792 2.328 . . . . 0.0 112.031 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.3 t70 -36.92 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 73' ' ' LEU . 15.1 mm100 -97.51 60.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.644 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 66.9 mt-30 -154.64 137.28 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -134.06 96.94 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.12 136.42 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.454 HG22 ' HB1' ' A' ' 590' ' ' ALA . 9.1 mt -136.72 144.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.369 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 60.4 t80 -135.1 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -35.55 -45.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.703 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.66 -90.02 0.06 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.42 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 43.1 tttt -154.11 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.31 . . . . 0.0 110.542 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 39.1 tt0 -86.04 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.55 129.94 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -88.41 159.73 17.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.21 162.92 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.66 -67.02 3.07 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.63 ' NE ' ' N ' ' B' ' 54' ' ' ARG . 4.2 mmp_? -43.14 169.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.663 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 67.4 p -113.13 171.55 7.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' B' ' 17' ' ' VAL . 73.4 mt -66.51 -28.97 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.45 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.8 t -66.05 -28.05 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' B' ' 59' ' ' TYR . 59.8 m-20 -77.56 30.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' O ' ' B' ' 58' ' ' ASP . 76.7 m-85 -158.48 4.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.8 m-20 59.57 24.69 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.11 98.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -80.24 -160.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -82.62 161.93 22.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 56.15 32.79 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.8 m -91.2 130.28 37.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -92.54 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.76 123.76 46.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -78.66 104.21 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.757 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -96.19 118.69 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.602 ' N ' HD23 ' B' ' 69' ' ' LEU . 4.3 t -119.65 114.82 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.788 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.7 pt? -85.57 141.19 30.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.602 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' NE ' ' OE1' ' B' ' 40' ' ' GLN . 6.6 ptm180 -90.42 71.07 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 17.5 mt 61.35 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.512 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -158.6 -171.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.83 79.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.812 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.903 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.5 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -92.86 123.35 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.62 142.37 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.405 ' O ' HD12 ' C' ' 67' ' ' LEU . 78.8 m-85 -96.39 136.25 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.94 105.17 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.408 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -83.82 133.06 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.7 p -83.11 -139.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.94 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 3.5 m -160.15 -14.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.45 64.7 0.24 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -173.39 148.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' C' ' 13' ' ' ILE . 94.7 m -135.76 161.45 35.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.544 ' N ' HG22 ' C' ' 12' ' ' THR . 3.2 mt -138.41 137.52 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.511 ' C ' HD22 ' C' ' 15' ' ' LEU . 3.7 m -106.19 102.66 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.74 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.4 mm? -97.12 133.92 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.0 103.46 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.4 m -129.44 -164.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.61 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 5.0 mt-10 -145.86 146.73 29.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.238 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.32 -13.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.866 2.377 . . . . 0.0 112.274 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.6 p -105.08 19.94 19.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.799 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -93.34 137.48 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.434 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.459 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.5 p -82.38 129.23 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' C' ' 22' ' ' THR . 35.4 mm -38.82 -51.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.449 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -49.82 -43.31 48.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' C' ' 22' ' ' THR . 16.5 t-20 -60.24 -41.81 93.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -48.42 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -53.26 -41.71 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.268 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' C' ' 32' ' ' ASP . . . -60.64 -46.42 90.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.301 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -56.9 -38.83 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.84 -42.08 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.51 -36.4 73.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' C' ' 28' ' ' ALA . 1.3 m-20 -70.61 -34.37 72.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -71.4 -58.93 3.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -93.03 -95.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.9 17.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 27.7 mt -90.14 105.91 12.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -45.77 144.3 5.69 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.649 2.233 . . . . 0.0 111.956 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.58 -62.78 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.85 2.367 . . . . 0.0 111.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -44.9 -29.79 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -97.19 55.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.4 mt-30 -149.13 165.45 31.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.469 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 52.2 ttt180 -162.73 103.72 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -92.55 117.39 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.9 mt -116.59 128.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.576 ' O ' ' HB3' ' C' ' 46' ' ' ALA . 70.8 t80 -128.98 126.04 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' C' ' 45' ' ' PHE . . . 73.28 -9.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 47' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' C' ' 45' ' ' PHE . . . 121.54 -14.45 9.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -98.94 143.67 28.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -81.15 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.75 111.63 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 154.79 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -77.11 172.3 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.24 -61.97 2.22 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -46.63 168.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.435 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 28.2 p -108.53 173.44 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.67 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' C' ' 17' ' ' VAL . 34.0 mt -68.91 -22.16 64.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.694 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.435 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 19.1 p -69.54 -27.28 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.644 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -76.42 15.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' C' ' 57' ' ' SER . 94.8 m-85 -143.07 4.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 54.26 46.87 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.11 110.27 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.4 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -88.57 -171.44 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.779 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.15 160.38 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 59.27 28.71 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.726 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -85.38 127.75 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -92.94 104.01 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.405 HD12 ' O ' ' C' ' 4' ' ' PHE . 4.9 mp -87.52 172.69 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.467 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -122.76 99.3 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -85.15 130.62 34.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.36 159.66 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.576 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.7 mm? -84.09 125.23 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.07 148.0 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 59.2 tp -170.56 88.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.95 156.86 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.59 -144.58 6.92 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.4 mm -42.58 -47.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 491' ' ' LEU . 9.9 mp -59.17 -42.84 91.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.84 -48.75 84.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.8 mp -58.08 -36.95 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -44.09 93.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 28.4 pt -87.29 1.58 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.722 0.296 . . . . 0.0 110.619 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -84.01 -59.44 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 51.9 p90 -89.54 20.47 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -38.66 -67.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 80.11 0.26 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.0 m -138.26 -67.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 62.49 64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -91.96 -94.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -177.61 -30.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 505' ' ' VAL . 19.9 tp10 -81.09 -38.95 26.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 504' ' ' GLU . 4.3 t -38.93 -49.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.279 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 511' ' ' PRO . 7.7 mt -82.55 -30.7 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.378 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -55.35 -9.34 2.17 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.8 tp -120.76 -43.38 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.318 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.418 HD13 HD21 ' A' ' 530' ' ' LEU . 74.2 mt -66.21 -63.15 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.792 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.9 mt -38.4 -64.78 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.55 -53.56 5.4 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.749 2.299 . . . . 0.0 111.744 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.5 mt -51.38 -17.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -128.12 11.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -154.95 16.61 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.8 m -63.04 -57.13 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 552' ' ' GLU . 3.2 m -168.25 -53.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -168.51 68.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.43 149.87 40.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 124.05 5.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.757 2.304 . . . . 0.0 111.986 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.5 -13.96 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.16 -46.48 89.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 69.0 p -87.97 -49.42 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.52 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -51.17 -46.4 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.8 mtt -59.87 -71.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -43.1 -47.48 6.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.7 t -47.16 -45.06 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.53 -31.42 69.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -53.37 -53.55 49.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.6 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 509' ' ' LEU . 42.1 mt -63.95 -51.26 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 535' ' ' VAL . . . -42.46 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -56.48 -50.17 72.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.555 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.8 t -69.75 -68.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.98 17.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.6 p -46.33 -47.95 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.613 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -78.69 -73.95 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.5 m -62.84 115.66 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.8 m -104.12 170.39 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.443 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -163.16 167.87 21.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 544' ' ' THR . . . -78.28 -47.31 8.33 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -44.5 -41.68 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.9 -59.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.6 m -59.46 -59.19 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 540' ' ' GLY . 78.6 p -40.74 -55.21 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.401 ' CB ' HD22 ' A' ' 510' ' ' LEU . 4.2 m -60.17 -55.72 30.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.347 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -29.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.221 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -77.62 -43.45 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -45.95 -47.88 16.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.322 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -69.05 -40.91 78.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.297 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.517 ' CE2' HD21 ' A' ' 566' ' ' LEU . 15.6 t80 -59.53 -29.38 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.438 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' A' ' 553' ' ' ARG . 16.9 tp -72.46 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 516' ' ' THR . 31.1 mt-10 -71.35 22.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.5 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' A' ' 551' ' ' LEU . 34.7 ttp180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.796 0.331 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 54.0 p-90 -168.47 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.588 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.8 p -44.32 -19.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 562' ' ' TRP . 29.5 ttm-85 -80.58 -71.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.72 -47.26 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.517 HD21 ' CE2' ' A' ' 550' ' ' PHE . 56.4 tp -56.4 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.33 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.7 -53.4 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -50.37 -58.19 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.07 -3.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -93.51 -67.25 1.07 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.16 -39.5 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.2 tp -42.43 -68.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.23 107.32 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.47 -7.53 14.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 58.75 102.62 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -163.27 17.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -173.79 173.89 46.01 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -65.93 -1.39 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.55 -55.4 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 582' ' ' ASP . 5.8 p -52.05 -38.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 581' ' ' VAL . 7.1 t70 -52.92 -46.56 68.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.93 -49.43 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 51.3 t -42.15 -48.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.86 -40.43 92.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.426 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -55.49 -40.96 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.308 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.4 m -62.81 -48.45 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 79.7 mt -46.27 -39.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.26 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.5 t -67.32 -34.2 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.268 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.48 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -56.8 -32.51 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 51.5 mt -103.36 75.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 54.72 -158.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 0.0 OUTLIER -175.49 46.17 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.634 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 594' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.7 Cg_endo -44.26 -102.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.939 2.426 . . . . 0.0 111.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 597' ' ' SER . 0.6 OUTLIER -107.73 3.71 24.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.712 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 598' ' ' ALA . 9.8 t -48.48 -10.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 595' ' ' MET . 69.5 m -44.01 -19.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -74.2 -48.83 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.38 -30.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -65.92 -35.79 81.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.79 -47.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.08 -71.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.574 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.83 -38.85 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.74 -38.31 53.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.6 m -70.13 -46.19 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.0 110.6 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.08 119.61 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -179.93 -174.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.537 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 34.8 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -98.79 100.87 12.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.481 HG12 HG22 ' B' ' 17' ' ' VAL . 9.6 pt -94.84 149.75 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.42 137.19 41.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -119.75 107.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.385 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -93.85 118.38 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 9' ' ' THR . 62.3 p -87.07 142.88 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.484 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.31 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -135.73 -31.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.24 66.72 0.17 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -173.31 139.35 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -124.66 111.34 15.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.47 152.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.56 ' C ' HD22 ' B' ' 15' ' ' LEU . 4.1 m -117.15 103.69 10.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.391 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.744 HD22 ' N ' ' B' ' 15' ' ' LEU . 3.3 mm? -100.01 130.15 46.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.77 92.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.481 HG22 HG12 ' B' ' 3' ' ' ILE . 9.4 m -115.84 171.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.684 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 81.3 mm-40 -122.38 147.67 50.51 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.291 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.07 -25.79 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.968 2.445 . . . . 0.0 112.628 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -95.76 14.18 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.027 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.684 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 34.8 m-20 -82.03 133.62 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -82.24 140.55 33.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -44.14 -53.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -50.52 -34.83 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.234 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.05 -49.25 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.231 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -53.4 -39.3 64.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.324 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.78 81.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.479 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -57.16 -36.7 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -67.65 -47.48 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.39 -40.08 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.27 -37.13 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -68.24 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -84.3 -86.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.09 -0.75 0.05 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 56.3 mt -72.04 132.38 84.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 0.0 110.456 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.54 143.31 34.16 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.717 2.278 . . . . 0.0 111.911 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -64.62 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.865 2.376 . . . . 0.0 112.0 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 5.3 m-20 -38.03 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 38' ' ' PRO . 13.7 mm100 -104.69 53.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -149.21 138.58 21.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.65 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -138.5 97.05 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 12.6 mt -87.43 134.09 33.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.48 HG22 ' HB1' ' A' ' 590' ' ' ALA . 5.0 mt -130.45 144.83 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.1 t80 -131.85 179.64 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.1 -35.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -78.17 -87.65 0.43 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.433 ' C ' HG23 ' B' ' 44' ' ' ILE . 37.5 tttt -157.15 -145.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 6.6 tp-100 -80.33 137.69 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.421 HD23 ' N ' ' B' ' 50' ' ' LEU . 7.3 mt -89.68 123.86 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.19 159.43 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 121.37 23.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 133.33 -70.2 0.52 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.3 mmt180 -44.42 170.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.554 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -113.45 173.07 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.583 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' B' ' 17' ' ' VAL . 42.4 mt -73.32 3.1 6.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.655 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -93.76 -27.73 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.9 -39.03 72.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.616 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -85.16 8.75 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m120 54.79 40.12 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 mt -86.44 113.35 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.44 -158.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -86.43 159.33 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 57.69 22.27 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -77.08 133.29 39.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -88.29 112.36 22.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.69 122.55 45.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -76.3 103.26 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.12 111.27 22.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.36 137.52 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mt -85.56 165.52 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -109.5 73.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.47 174.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -45.48 119.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.28 -41.41 9.3 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.956 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -112.46 104.16 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.473 HD12 HD22 ' C' ' 67' ' ' LEU . 21.0 pt -96.92 151.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.757 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.15 152.64 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.51 100.0 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.251 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.19 125.12 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.43 ' C ' ' H ' ' C' ' 9' ' ' THR . 82.1 p -85.43 155.67 21.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 43.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.43 ' H ' ' C ' ' C' ' 7' ' ' THR . 1.3 m -150.24 -32.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.62 -54.55 0.54 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -40.16 140.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -132.86 116.23 16.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.67 165.77 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.671 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.507 ' C ' HD12 ' C' ' 15' ' ' LEU . 6.6 m -133.35 106.24 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.326 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.529 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.7 mp -107.19 136.69 46.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.98 105.09 17.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.272 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -127.3 170.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.583 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.2 mm-40 -119.43 177.23 1.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.097 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.57 -25.28 12.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.69 2.26 . . . . 0.0 112.051 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -92.38 4.81 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 17.2 m-20 -74.95 137.34 41.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -87.18 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.24 -52.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.435 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -47.94 -40.44 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.265 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -62.48 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.05 -48.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.308 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.25 83.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -56.12 -41.79 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.317 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.37 -42.13 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.489 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.54 -33.01 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.49 -32.13 62.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -75.52 -64.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.76 -95.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.559 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 164.07 17.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 43.0 mt -85.69 110.8 32.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.591 0.234 . . . . 0.0 110.464 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.84 137.9 12.23 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.601 2.201 . . . . 0.0 111.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.29 -57.35 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.762 2.308 . . . . 0.0 112.074 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . 0.457 ' O ' ' CZ ' ' C' ' 72' ' ' ARG . 13.8 t70 -46.08 -38.87 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -78.7 -35.81 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 90.7 mt-30 -57.31 150.64 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -150.27 104.85 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.19 115.21 24.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.45 HD12 HG21 ' C' ' 70' ' ' VAL . 7.0 mt -117.07 126.54 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -143.75 145.22 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 38.35 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.2 51.51 58.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -168.42 132.71 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -77.89 138.0 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.73 119.98 26.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.58 158.18 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 161.59 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.606 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.19 -66.37 3.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.7 mmt180 -40.95 164.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.424 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.6 p -114.8 160.18 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.44 -1.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.424 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.84 -15.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -81.9 -30.56 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.61 6.49 48.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ASN . . . . . 0.535 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 6.8 m120 61.87 14.12 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.77 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -57.62 115.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 17.0 mp0 -87.74 -161.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.672 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -86.42 159.35 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.735 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 56.28 24.35 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -78.93 135.55 36.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.499 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' THR . . . . . 0.444 ' C ' HD12 ' C' ' 67' ' ' LEU . 3.9 m -83.46 126.52 32.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' LEU . . . . . 0.473 HD22 HD12 ' C' ' 3' ' ' ILE . 8.5 mp -112.49 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -72.51 100.61 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.04 126.44 33.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.545 HG12 ' H ' ' C' ' 71' ' ' LEU . 0.8 OUTLIER -138.73 176.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.482 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.545 ' H ' HG12 ' C' ' 70' ' ' VAL . 15.5 mt -94.94 163.83 13.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.611 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ARG . . . . . 0.457 ' CZ ' ' O ' ' C' ' 39' ' ' ASP . 45.0 ttp85 -129.03 156.03 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -173.89 119.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -54.7 176.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.81 179.5 38.76 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 25.0 mm -53.44 -36.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.39 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.59 -39.79 4.72 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 4.6 mp -62.12 -38.84 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.53 -48.02 88.26 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.54 -9.61 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.51 -48.35 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 1.2 m-85 -66.35 6.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -78.57 11.57 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -64.86 -96.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 34.3 t -158.28 75.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mttp 42.64 79.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -94.1 131.75 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -6.05 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -81.45 -37.61 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.01 -60.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.078 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.3 -22.86 66.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.8 -34.1 76.13 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.8 tp -113.03 -38.73 4.41 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 3.8 mm? -66.95 -60.5 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.902 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.647 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 0.3 OUTLIER -40.51 -60.41 1.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.61 -57.21 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.299 1.999 . . . . 0.0 111.609 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 512' ' ' ILE . 67.5 mt -53.47 -11.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -106.36 -8.82 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.476 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -167.62 43.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.539 174.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 511' ' ' PRO . 6.2 p -69.65 -56.98 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.136 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.7 OUTLIER -172.73 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -171.4 90.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -120.76 149.95 51.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.66 121.22 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.817 2.345 . . . . 0.0 111.937 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.7 pt -64.72 4.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 519' ' ' PRO . 45.2 mt-10 -74.84 -61.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 p -82.29 -45.07 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.65 -38.1 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.72 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 19.9 mtt -59.01 -49.56 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -48.5 -56.89 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.544 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.7 t -51.12 -53.7 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 13.9 tp -49.58 -38.09 30.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -57.18 -46.48 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -72.96 -65.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.54 -31.32 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 535' ' ' VAL . 81.0 t -75.11 -69.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -74.3 20.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -51.55 -31.33 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.28 -96.68 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 5.7 t -58.2 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.477 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.0 p -152.51 170.37 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -158.23 145.38 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.95 50.45 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.72 -46.17 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.05 -36.94 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.3 m -66.27 -53.91 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.9 p -56.63 -27.56 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 0.9 OUTLIER -79.26 -59.42 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.293 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -29.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.4 mmt -74.56 -55.46 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -39.42 -41.02 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -69.69 -52.54 24.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.655 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.74 -29.27 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.9 mp -75.87 -53.99 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -48.54 -11.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 551' ' ' LEU . 24.5 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.746 0.308 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.404 ' C ' ' N ' ' A' ' 564' ' ' ARG . 2.1 p-90 -148.2 -12.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 60.1 t -46.38 -21.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.582 ' NE ' ' CZ ' ' A' ' 565' ' ' PHE . 18.1 ptt180 -71.76 -47.31 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CZ ' ' NE ' ' A' ' 564' ' ' ARG . 29.6 m-85 -58.89 -36.58 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.485 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -69.86 -28.03 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.86 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.8 mp -47.87 -31.98 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.612 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -76.32 -84.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.4 tp -48.21 -17.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.65 -77.84 0.75 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.43 -5.71 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 16.9 tp -40.96 -63.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -69.6 -166.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.0 ttt -150.62 -78.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -72.33 124.28 9.8 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -78.28 125.82 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -164.39 -157.91 9.84 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.94 -9.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 578' ' ' GLY . 35.5 mt-30 -63.72 -66.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.9 t -46.62 -34.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.26 -73.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.93 -46.64 52.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 580' ' ' GLN . 56.3 t -43.29 -66.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 92.1 mt -47.88 -47.69 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.75 -43.78 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.0 m -56.34 -51.15 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.6 -39.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.345 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.0 t -63.11 -39.5 94.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.79 -30.2 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.388 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.849 HG22 ' H ' ' A' ' 592' ' ' GLU . 16.5 mm -80.06 179.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.849 ' H ' HG22 ' A' ' 591' ' ' ILE . 69.7 mt-10 -56.91 -144.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -141.52 73.42 24.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.53 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.058 2.506 . . . . 0.0 112.008 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 34.3 mtt -89.98 16.55 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.6 p -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 47.8 t -43.29 -45.8 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.03 -59.31 5.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.98 -43.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -53.92 -38.78 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.68 -57.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.81 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.7 t -49.61 -33.95 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.16 87.59 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 27.4 p -64.57 -46.96 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.786 0.327 . . . . 0.0 110.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.8 t -80.67 129.69 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.44 -170.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.65 120.64 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.3 148.96 33.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.67 151.6 24.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.97 104.83 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -87.22 128.16 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.646 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 9' ' ' THR . 13.7 p -102.38 144.04 31.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.494 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 40.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.435 ' H ' ' C ' ' B' ' 7' ' ' THR . 62.3 p -140.38 0.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.64 71.73 1.14 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -174.42 152.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.335 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -143.18 97.57 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 153.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.424 ' C ' HD12 ' B' ' 15' ' ' LEU . 8.5 m -129.09 100.37 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.612 ' N ' HD12 ' B' ' 15' ' ' LEU . 9.6 mp -98.83 168.65 9.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -122.58 76.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.185 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.4 m -98.16 -162.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.961 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.435 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.2 mt-10 -142.33 177.02 2.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.013 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.09 12.08 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.13 14.68 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.78 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.86 140.08 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.537 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 p -86.93 137.49 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.1 mm -44.15 -51.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.331 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -47.71 -43.89 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.28 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.41 -41.23 93.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.209 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.59 -51.17 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.184 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.18 -44.15 61.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.229 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.26 79.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -54.42 -47.9 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -56.66 -47.05 82.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.21 -30.45 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.25 -43.85 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.19 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.442 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.09 -102.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 174.53 7.46 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 39.6 mt -69.26 134.83 89.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.17 135.1 22.24 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.561 2.174 . . . . 0.0 111.876 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.97 -39.91 19.99 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.652 2.235 . . . . 0.0 112.021 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.01 7.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.3 mt-30 -145.66 63.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -149.08 95.1 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 72' ' ' ARG . 7.0 mtp180 -88.3 103.89 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.18 125.43 39.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mt -125.17 147.06 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 68.8 t80 -136.29 173.44 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.627 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -37.14 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.74 -87.25 0.83 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -155.85 -137.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -85.01 134.62 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.79 111.16 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.664 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.78 159.24 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.57 165.66 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.61 -63.24 4.44 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 53' ' ' GLY . 33.3 mmt-85 -45.09 173.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -117.1 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.535 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.5 mt -71.46 -12.23 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.596 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.6 p -83.23 -18.13 40.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -84.12 12.53 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -138.67 8.29 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 55.53 34.14 22.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.678 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -81.43 95.97 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.02 -157.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.652 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -84.49 161.72 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.706 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 56.69 37.97 29.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -95.36 133.72 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.55 95.36 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.59 122.76 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -75.71 143.59 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.226 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 tp -137.3 121.88 18.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.4 132.87 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.622 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.4 mp -84.67 158.52 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 42' ' ' ARG . 19.5 mmt180 -103.67 61.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.532 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.6 mp 56.35 78.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -51.11 -177.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.0 -139.55 6.04 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 117.987 -1.451 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -108.23 112.79 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -103.5 149.17 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -102.29 134.64 45.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -120.14 104.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -86.03 138.58 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.46 ' O ' ' N ' ' C' ' 9' ' ' THR . 71.7 p -109.45 142.25 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.467 ' O ' HG23 ' C' ' 9' ' ' THR . 10.8 mt -69.01 59.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.467 HG23 ' O ' ' C' ' 8' ' ' LEU . 49.7 p -162.23 -5.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 65.55 1.4 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -172.43 125.45 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 14.1 m -108.01 151.45 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' C' ' 13' ' ' ILE . 1.1 mt -132.64 122.1 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -89.75 118.88 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.1 mt -115.57 130.28 56.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.788 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.14 94.83 8.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.34 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -121.38 -179.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.781 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 10.4 mt-10 -123.48 170.59 8.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.217 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' C' ' 57' ' ' SER . 3.4 Cg_exo -74.54 -2.0 11.83 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.797 2.331 . . . . 0.0 112.156 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -113.92 -4.57 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 30.2 m-20 -64.05 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.539 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -84.95 142.62 29.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.586 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -46.0 -52.86 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.78 -43.01 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 7.1 t-20 -59.92 -45.98 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.318 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.14 -50.24 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.224 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -52.74 -35.03 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.157 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.25 -45.42 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -59.43 -37.62 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.71 -36.79 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' C' ' 32' ' ' ASP . 2.7 m-20 -73.35 -29.77 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.4 -57.58 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -93.78 -93.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.44 22.91 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.43 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 67.0 mt -93.01 104.37 11.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.591 0.234 . . . . 0.0 110.514 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.37 138.71 9.98 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.608 2.205 . . . . 0.0 111.926 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.528 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.15 -41.12 21.72 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.79 2.327 . . . . 0.0 111.939 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.24 23.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' C' ' 38' ' ' PRO . 70.6 mt-30 -153.25 50.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.8 mt-30 -148.19 176.21 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -171.38 104.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.91 123.0 32.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.418 HD12 HG21 ' C' ' 70' ' ' VAL . 3.8 mt -120.52 125.09 73.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.1 t80 -99.28 -114.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -80.16 57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.64 84.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -123.4 132.82 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.91 142.63 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.28 123.33 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.605 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -83.44 157.95 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.6 120.29 21.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 127.66 -67.54 0.55 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 12.6 mmt180 -42.26 167.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -108.47 171.69 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.604 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' C' ' 17' ' ' VAL . 90.9 mt -70.33 -12.1 61.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' C' ' 19' ' ' PRO . 1.4 t -83.78 -27.63 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.22 -39.61 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.41 10.51 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.95 30.22 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -80.39 101.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -80.71 -159.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -81.97 161.21 23.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.68 30.15 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -82.89 132.92 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -86.54 140.26 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.35 172.27 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -128.46 137.48 51.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' LEU . . . . . 0.719 HD23 ' N ' ' C' ' 70' ' ' VAL . 5.5 tt -107.34 121.2 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.719 ' N ' HD23 ' C' ' 69' ' ' LEU . 2.3 t -132.75 157.55 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.25 102.68 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -72.12 159.61 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.495 HD23 ' N ' ' C' ' 74' ' ' ARG . 2.1 tt -171.66 111.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ARG . . . . . 0.495 ' N ' HD23 ' C' ' 73' ' ' LEU . 51.9 ttp180 -59.95 145.8 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.76 149.96 6.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 14.0 mm -44.41 -56.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 491' ' ' LEU . 40.0 mt -46.59 -51.31 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.69 -58.39 6.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -49.26 -39.81 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.69 91.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.2 mm -83.74 -12.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.67 -77.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 498' ' ' ALA . 5.5 p90 -85.68 29.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.675 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -39.88 -42.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.439 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -108.91 -177.98 21.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 500' ' ' SER . 8.1 p 64.87 100.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.551 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -71.01 52.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 504' ' ' GLU . 56.5 t-20 -59.0 125.27 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.61 8.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.695 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.0 tp10 -90.66 -48.61 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.094 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.38 -35.76 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.2 mp -93.61 -24.17 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.471 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.53 34.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.22 -45.99 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 509' ' ' LEU . 7.9 mp -67.69 -54.11 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.932 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.2 tp -48.96 -58.75 7.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.747 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.14 -49.06 13.42 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.44 2.093 . . . . 0.0 111.634 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.56 -20.97 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.272 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -110.44 20.02 18.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -162.14 20.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.48 ' O ' ' OG1' ' A' ' 516' ' ' THR . 38.6 t -71.66 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.309 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 0.2 OUTLIER -172.23 67.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 516' ' ' THR . 3.0 t70 80.83 109.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.4 OUTLIER -162.13 155.7 17.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.319 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.29 107.49 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.827 2.351 . . . . 0.0 111.945 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 19.8 pt -74.56 19.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 519' ' ' PRO . 7.9 mp0 -78.8 -30.86 45.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 33.9 p -103.88 -26.1 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.83 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.6 mmt -49.68 -46.99 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.32 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -53.86 -35.05 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.82 -45.3 61.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.22 -45.44 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 532' ' ' HIS . 91.8 mt -69.22 -68.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.615 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.96 -23.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 530' ' ' LEU . 23.8 t60 -72.93 -55.2 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.4 t -70.52 -29.56 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.633 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -101.9 11.32 38.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -44.84 -31.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.82 -84.77 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.6 t -74.68 -173.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.409 ' N ' ' OG1' ' A' ' 537' ' ' THR . 17.8 p -168.79 177.64 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -158.25 172.1 18.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.87 -45.7 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.06 -47.41 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 67.4 mt -49.53 -42.78 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 57.6 m -66.75 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.4 p -39.33 -37.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.415 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 18.2 m -74.05 -53.32 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -29.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 75.4 mmm -71.6 -48.86 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -47.52 -41.83 21.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.406 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.1 -41.76 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.79 -19.34 63.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 553' ' ' ARG . 43.2 tp -87.49 -52.61 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.72 30.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 551' ' ' LEU . 11.4 ptp180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.81 0.338 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.58 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 6.2 p-90 -159.77 -62.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.58 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 13.9 p -50.28 -12.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 562' ' ' TRP . 47.8 ttp180 -79.06 -44.27 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -79.61 -40.18 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.9 mp -60.87 -55.8 28.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.35 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.648 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.95 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -52.09 -60.6 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.5 tp -45.56 -20.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -82.15 -76.63 1.09 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 574' ' ' TYR . 11.5 mm -44.72 -29.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 44.7 tp -43.69 -21.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 572' ' ' ILE . 38.0 m-85 -118.83 157.36 27.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER -171.46 11.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.565 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -156.05 167.69 33.35 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 53.2 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.619 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.69 86.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 579' ' ' GLU . 20.6 mp0 -83.28 -45.31 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -60.36 -56.78 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 582' ' ' ASP . 9.5 p -48.39 -38.83 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 581' ' ' VAL . 13.7 t70 -56.87 -51.28 69.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.28 -37.37 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 17.6 t -58.75 -44.37 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.8 -43.58 81.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.73 -32.12 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 590' ' ' ALA . 22.6 m -70.76 -56.6 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -43.76 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.309 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.9 t -81.89 -32.35 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.317 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -55.81 -27.98 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 68.6 mt -85.11 91.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 43.44 -124.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -170.87 71.84 0.54 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.85 -160.92 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 597' ' ' SER . 8.4 ptp -90.56 14.33 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.4 t -57.28 -3.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 595' ' ' MET . 73.1 m -42.81 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.476 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -71.75 -51.66 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.1 mt -63.32 -39.85 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -54.8 -54.28 44.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 597' ' ' SER . 92.1 t -56.62 -56.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.0 tp -43.24 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.68 -16.77 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.5 -60.32 5.53 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 35.0 t -58.95 -60.97 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 30.6 m -82.18 122.0 27.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.41 -72.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.585 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -80.22 114.42 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.23 150.9 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -108.06 144.91 34.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.619 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -127.45 104.2 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.421 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -85.27 118.99 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 9' ' ' THR . 72.9 p -88.02 141.91 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 44.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 7' ' ' THR . 82.0 p -141.76 -18.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.43 65.71 0.52 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -175.17 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -107.61 114.93 29.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.97 145.1 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -117.52 119.62 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.03 138.13 53.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -90.18 114.9 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.334 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' B' ' 56' ' ' LEU . 14.2 m -131.4 -171.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.473 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.6 mt-10 -133.79 144.58 52.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -19.57 0.67 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.934 2.423 . . . . 0.0 112.341 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -98.3 12.76 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.645 0.26 . . . . 0.0 111.093 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.6 m-20 -84.58 135.37 34.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.1 p -81.55 145.23 30.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.718 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.9 mm -51.89 -41.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 14.5 pt-20 -55.93 -42.12 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.105 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.5 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.19 -53.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -49.79 -42.22 46.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.145 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -59.69 -45.99 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -56.37 -49.35 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.28 -47.55 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -55.14 -29.39 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.374 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 28' ' ' ALA . 3.7 m-20 -72.41 -42.45 65.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -69.65 -64.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -84.34 -104.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.68 9.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 42.1 mt -70.51 128.67 90.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.526 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.06 137.1 25.87 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.535 2.157 . . . . 0.0 111.898 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -42.05 23.43 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.785 2.323 . . . . 0.0 111.929 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.24 8.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' B' ' 38' ' ' PRO . 10.0 mt-30 -144.01 62.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -150.54 132.19 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -129.03 96.95 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.81 127.87 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.48 143.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.435 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.651 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 76.2 t80 -133.12 178.07 7.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.651 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.96 -32.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -82.48 -89.12 0.68 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 tttt -153.24 -143.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -84.7 138.09 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -89.94 133.76 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.5 mp0 -94.74 157.16 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.97 168.56 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 80.53 -71.96 2.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.5 mmt180 -39.98 164.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 73.6 p -111.33 -179.76 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' B' ' 17' ' ' VAL . 56.1 mt -77.35 -3.38 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.423 ' C ' ' H ' ' B' ' 59' ' ' TYR . 13.9 t -87.18 -29.57 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -76.88 20.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.7 m-85 -145.71 6.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 54.63 38.56 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -83.07 98.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -79.8 -163.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -82.17 160.49 23.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.38 169.74 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.332 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -133.33 90.33 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.471 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.72 124.09 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -83.74 105.13 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.4 tp -91.13 130.1 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.673 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.21 133.53 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.37 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.0 mp -89.38 155.91 19.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -104.73 70.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.415 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 15.5 mt 62.12 79.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -42.37 124.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.02 -161.43 13.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.832 0.348 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -88.98 116.83 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -117.21 151.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -109.54 142.85 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.65 100.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -83.78 122.03 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -81.55 142.25 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.379 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -71.79 58.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -161.85 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.9 70.61 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -171.82 157.46 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -143.99 107.12 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.01 136.6 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -106.17 123.1 47.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.346 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.52 134.92 48.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -87.19 118.61 26.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.416 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' C' ' 56' ' ' LEU . 3.8 m -138.44 -166.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 39.1 mt-10 -145.45 152.49 49.9 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 -48.57 10.86 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.068 2.512 . . . . 0.0 112.321 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.403 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.8 OUTLIER -57.91 -40.05 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.865 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 5.1 m-20 -39.66 139.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 6.7 p -94.59 145.23 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 mm -46.49 -52.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.288 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -46.81 -44.04 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 10.7 t-20 -58.92 -45.78 89.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.069 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.31 -48.49 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.036 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -53.38 -35.65 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.055 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.76 -44.62 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.02 -39.8 87.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.92 -35.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -64.83 -35.43 81.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -73.67 -28.54 61.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -79.1 -63.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -85.19 -96.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.44 23.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 45.1 mt -97.21 99.43 6.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.694 0.283 . . . . 0.0 110.541 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.22 144.73 4.03 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.645 2.23 . . . . 0.0 111.918 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.55 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.9 Cg_endo -45.7 -46.14 15.53 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.779 2.32 . . . . 0.0 111.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -70.52 29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.9 mt-30 -156.0 45.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.7 mt-30 -143.32 173.98 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.494 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 23.1 ttm180 -166.06 93.24 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.84 115.24 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.467 HD12 HG21 ' C' ' 70' ' ' VAL . 6.5 mt -112.21 136.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -143.49 129.0 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.64 28.01 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.63 53.56 8.33 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -165.42 133.49 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -79.67 130.26 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -82.82 129.8 35.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 4.1 mp0 -81.34 158.63 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 171.68 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.42 -57.7 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 36.6 mmt-85 -44.08 146.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.626 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.8 p -94.76 154.22 17.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' C' ' 17' ' ' VAL . 89.9 mt -56.19 -16.92 6.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.55 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -78.8 -30.97 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.71 -41.0 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -86.65 0.86 53.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' C' ' 60' ' ' ASN . 0.4 OUTLIER 71.28 -1.54 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.731 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' C' ' 60' ' ' ASN . 68.6 mt -40.34 98.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 11.8 mp0 -80.21 -157.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 158.07 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 59.03 34.81 23.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 37.4 m -85.05 164.06 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.407 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -121.56 98.62 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.6 115.98 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -77.37 98.09 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.39 122.45 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.601 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.4 t -131.24 171.73 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.601 ' H ' HG12 ' C' ' 70' ' ' VAL . 29.5 mt -110.67 166.83 10.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -145.72 159.35 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -159.6 124.72 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -46.96 160.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.88 -113.78 0.66 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.785 0.326 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.1 mm -49.71 -45.76 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -47.44 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.71 -49.46 40.58 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -53.27 -45.12 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.48 58.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.0 mm -89.1 -12.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -70.11 -79.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.641 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -77.4 27.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.19 -65.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -106.59 71.19 0.22 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 87.5 p -162.47 93.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -76.69 54.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.498 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 49.9 t30 -72.59 -171.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.498 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -109.51 0.44 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -84.87 -40.74 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.295 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.63 -58.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.369 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.547 ' CD2' HD22 ' A' ' 530' ' ' LEU . 9.0 mt -78.68 -18.77 53.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.22 -10.0 64.96 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -125.51 -46.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 509' ' ' LEU . 10.8 mp -67.71 -52.79 33.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.5 tp -51.64 -59.09 8.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.81 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.81 -44.31 22.39 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.383 2.056 . . . . 0.0 111.635 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.696 HG13 HD12 ' C' ' 8' ' ' LEU . 68.7 mt -63.66 -26.77 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.314 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -94.1 3.99 54.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -143.21 7.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.597 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.7 t -58.24 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.44 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.6 OUTLIER -171.38 -75.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.74 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -137.32 87.09 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 56.1 mt -117.83 149.86 46.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 111.995 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 22.1 pt -67.17 -2.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -73.96 -32.68 63.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 74.6 m -101.77 -45.47 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.3 -43.82 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.11 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.16 -53.86 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -51.15 -53.18 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 8.5 t -44.54 -45.02 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.16 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.43 -42.0 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 506' ' ' LEU . 51.3 mt -65.9 -44.58 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.569 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -59.55 -48.97 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.662 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.9 t -72.14 -58.85 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 537' ' ' THR . 41.2 m-85 -72.94 14.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -46.99 -31.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -78.9 -79.56 0.79 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.7 t -72.92 -173.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.533 ' N ' ' OG1' ' A' ' 537' ' ' THR . 21.0 p -170.98 170.11 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -156.84 178.79 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.72 -42.98 4.63 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.85 -31.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.662 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.4 -48.12 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.4 m -59.46 -58.96 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.8 p -41.99 -36.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 4.4 m -77.83 -60.33 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.1 OUTLIER -46.19 -28.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.361 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 13.4 mmt -74.28 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -39.08 -32.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -79.32 -48.51 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.2 m-85 -52.91 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.0 mp -67.16 -50.51 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 516' ' ' THR . 62.8 mt-10 -72.81 33.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 551' ' ' LEU . 28.3 ptt-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.422 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 56.2 p-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 12.2 p-90 -158.95 -52.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.602 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.4 p -47.89 -20.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.01 -47.28 62.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.65 -46.06 89.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.5 mp -61.35 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.446 HD13 ' C ' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -61.04 -63.03 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -60.66 -70.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 51.4 tp -44.69 -22.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.8 -77.46 0.94 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 572' ' ' ILE . 10.3 tp -50.39 -24.59 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.49 -61.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -88.79 179.99 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.8 ttt -173.42 -75.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -62.16 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 53.86 -140.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 164.36 -80.37 0.12 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -47.0 -41.88 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -48.5 -50.45 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 584' ' ' VAL . 90.6 t -53.69 -53.44 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -40.01 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.31 -41.89 85.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 581' ' ' VAL . 44.6 t -60.25 -48.18 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.64 -38.47 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.49 -35.59 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.498 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 590' ' ' ALA . 7.0 m -63.17 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.515 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 13.0 tt -41.45 -30.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -82.55 -35.9 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.342 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.71 -20.42 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 591' ' ' ILE . 5.1 mm -74.22 138.67 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -43.61 149.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.453 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 33.8 m170 55.37 81.08 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.42 49.37 2.05 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.853 2.369 . . . . 0.0 112.095 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.1 tpt -67.76 -22.15 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 599' ' ' ILE . 16.9 p -62.83 -0.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 595' ' ' MET . 8.0 t -37.88 -38.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.71 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 596' ' ' THR . 11.5 mm -59.56 -47.87 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.62 -36.91 25.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.45 -27.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.0 tp -74.97 -56.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -30.35 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.26 59.74 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.0 t -69.39 -27.12 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.487 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 85.5 m -141.55 119.76 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.18 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 608' ' ' TYR . 24.8 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.0 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -89.01 129.67 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 pt -135.44 144.39 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.595 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.419 ' O ' HD12 ' B' ' 67' ' ' LEU . 97.2 m-85 -97.05 142.93 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.78 106.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -88.27 127.38 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.68 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.0 p -94.58 145.04 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.347 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.29 39.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.516 ' H ' ' C ' ' B' ' 7' ' ' THR . 76.1 p -146.63 5.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.53 76.25 1.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -173.89 116.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -102.15 126.62 49.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -114.65 136.5 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.745 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.8 m -105.46 114.6 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.23 132.96 53.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -91.86 75.1 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 11.5 m -98.25 -165.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.765 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.2 mt-10 -139.22 178.85 1.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.15 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.88 -28.25 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.835 2.357 . . . . 0.0 112.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.68 19.41 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.61 131.32 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 2.4 p -83.41 143.79 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.578 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mm -45.84 -47.71 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -50.57 -47.46 57.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 2.5 m-20 -58.29 -42.1 85.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.331 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.78 -54.45 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -50.69 -34.0 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.252 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.18 -48.94 71.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -57.35 -36.1 70.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.02 -43.01 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.06 -34.93 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.398 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' B' ' 28' ' ' ALA . 27.4 m-20 -71.88 -33.95 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -71.57 -56.96 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -95.74 -83.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 155.1 6.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 58.7 mt -75.89 112.68 21.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.648 0.261 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.97 138.14 12.49 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.664 2.243 . . . . 0.0 111.818 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.26 -62.36 0.46 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.845 2.364 . . . . 0.0 111.952 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -39.9 -34.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -96.11 60.32 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 64.6 mt-30 -155.77 114.23 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 72' ' ' ARG . 97.3 mtt180 -109.54 102.09 10.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.0 mt -88.21 125.06 34.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -116.51 140.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' B' ' 47' ' ' GLY . 86.2 t80 -163.51 160.85 23.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.439 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . 64.73 -66.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 178.62 13.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -152.65 -174.01 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -93.92 154.16 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.4 129.22 39.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -80.13 150.67 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.603 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -77.43 99.45 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 152.52 -61.33 0.39 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.409 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 40.9 mmt-85 -46.33 169.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -112.57 163.09 14.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 64.7 mt -67.49 -2.99 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -93.6 -14.27 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.615 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -83.15 -34.46 26.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -89.04 13.52 12.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 m120 55.32 29.35 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -76.91 104.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.67 -157.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.26 159.96 24.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.662 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.6 34.09 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -89.71 123.92 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.4 m -95.44 103.11 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.492 ' H ' HD12 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -102.47 143.76 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -87.06 157.83 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.333 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.754 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -144.88 122.31 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.679 ' N ' HD23 ' B' ' 69' ' ' LEU . 11.6 t -119.14 117.69 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.389 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.544 ' H ' HD23 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -90.63 133.82 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.64 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 42' ' ' ARG . 83.6 mtt180 -66.42 85.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 12.5 mt 58.79 170.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.04 120.47 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.05 -74.35 1.14 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.828 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -113.33 116.89 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.84 153.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.705 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -112.05 154.24 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -130.16 103.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.126 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -92.17 134.88 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.754 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 7.1 p -103.93 158.97 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 512' ' ' ILE . 4.4 mm? -71.06 50.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.514 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 62.6 p -151.6 1.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.74 77.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -83.95 151.48 25.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -141.11 136.76 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.48 125.36 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -96.03 119.99 35.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.63 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -88.17 125.89 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -143.28 -171.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.9 mt-10 -134.22 176.04 3.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.212 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.33 -25.26 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.788 2.325 . . . . 0.0 112.009 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -87.63 -5.06 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.699 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 8.5 m-20 -66.64 135.75 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.617 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.7 p -89.69 153.42 20.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.746 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -53.69 -46.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.384 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -53.35 -41.03 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 2.9 m-20 -62.43 -46.59 87.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.246 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.66 -51.89 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.264 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -52.12 -36.25 50.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.124 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -62.81 -45.76 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -59.88 -37.5 79.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -68.02 -31.22 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.36 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 44.9 tp60 -70.04 -34.7 73.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.46 -24.29 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -86.27 -67.18 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -78.41 -90.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.55 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.528 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 53.4 mt -88.08 108.86 23.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.654 0.264 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.47 137.26 11.42 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.65 2.233 . . . . 0.0 111.905 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -53.72 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.789 2.326 . . . . 0.0 111.974 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.44 -0.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.739 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.521 ' H ' ' C ' ' C' ' 38' ' ' PRO . 15.6 mm100 -126.46 50.33 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.1 mt-30 -147.97 168.72 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' C' ' 42' ' ' ARG . 3.3 tpm_? -162.86 114.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.3 114.5 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.534 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.406 HG21 HD13 ' C' ' 44' ' ' ILE . 3.2 mt -112.68 142.56 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -147.68 125.83 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.15 33.51 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.05 37.12 50.25 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -140.91 115.14 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -78.11 134.09 37.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.14 126.77 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -76.65 158.12 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.24 99.29 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.21 -57.94 0.45 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -45.27 169.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -112.92 163.22 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.8 -8.11 26.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.4 p -87.6 -25.77 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.41 -41.24 80.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -86.09 11.18 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.431 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 55.86 20.36 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.95 99.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -81.28 -172.46 3.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.3 160.18 32.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.48 29.81 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -91.58 110.32 21.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.33 131.04 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -82.28 101.66 10.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -83.97 127.46 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.427 ' C ' HD22 ' C' ' 71' ' ' LEU . 0.2 OUTLIER -145.3 172.28 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.533 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.8 mm? -95.74 167.36 11.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.377 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -136.79 162.41 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -175.99 110.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -66.41 152.7 44.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.47 148.99 8.4 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.21 -16.51 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -77.77 -68.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.75 99.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.1 tp -58.4 -46.17 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.566 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.41 -37.32 65.72 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 495' ' ' ILE . 68.1 mt -91.91 -8.46 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -71.14 -68.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.513 ' C ' ' H ' ' A' ' 499' ' ' GLY . 50.1 p90 -74.26 23.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -57.97 -2.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -70.09 -127.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.0 t -84.17 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.315 . . . . 0.0 110.535 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -160.8 92.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -57.21 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -172.8 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -75.31 -23.7 57.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.507 HG11 ' CD2' ' A' ' 497' ' ' PHE . 1.3 t -52.77 -65.19 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.323 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.419 HD21 ' CE1' ' A' ' 534' ' ' PHE . 7.2 mt -71.54 -20.12 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -74.58 -6.87 78.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 36.8 tp -128.06 -48.92 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 509' ' ' LEU . 11.2 mp -68.03 -45.15 74.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 2.7 tp -59.19 -58.82 16.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.22 -42.46 21.77 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.466 2.111 . . . . 0.0 111.586 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.72 -34.84 66.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.17 18.72 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.9 26.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.1 OUTLIER -72.71 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.404 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.43 ' N ' ' OG ' ' A' ' 515' ' ' SER . 0.5 OUTLIER -170.93 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 6.8 p-10 -158.52 -95.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 14.9 mt 59.32 147.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.13 169.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.776 2.317 . . . . 0.0 111.953 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.2 mt -96.98 -50.98 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.56 -36.73 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.617 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 20.6 p -72.91 -68.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.34 -31.52 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.35 -66.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.7 tpt -46.45 -39.47 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.58 -59.5 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 56.3 p -46.21 -36.46 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -58.97 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.25 89.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 530' ' ' LEU . 0.2 OUTLIER -45.14 -53.64 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 531' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -66.55 -50.95 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -41.62 -54.86 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.1 t -67.54 -56.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.419 ' CE1' HD21 ' A' ' 506' ' ' LEU . 38.2 m-85 -76.89 27.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.458 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.4 p -64.89 -36.63 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -60.56 -90.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.9 t -67.86 -169.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 42.6 t -167.83 171.96 9.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.551 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 68.8 m-80 -160.44 165.12 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.23 -35.85 28.94 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -47.4 -42.81 22.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.59 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.43 -43.15 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 86.9 m -65.48 -66.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 80.5 p -39.99 -35.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.427 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 11.5 m -76.21 -55.88 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.314 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -32.21 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.403 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -68.18 -57.72 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -40.65 -38.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -71.27 -48.7 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -47.46 -53.33 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.442 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.7 mp -56.57 -42.19 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.506 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -87.4 30.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.772 0.32 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.491 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 8.6 p-90 -156.07 -50.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.465 HG23 ' CE2' ' A' ' 562' ' ' TRP . 20.3 t -42.05 -44.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 69.9 mtp180 -45.68 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -40.29 -62.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.7 mp -43.46 -27.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.512 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 568' ' ' LEU . 11.0 mp -50.98 -45.64 61.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.64 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.9 tp -43.66 -25.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.542 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.21 -70.35 1.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 572' ' ' ILE . 66.2 mt -64.66 -8.92 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.52 -20.8 14.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -116.52 162.12 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 77.6 mtp -83.35 22.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 83.92 -71.01 3.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.12 143.14 34.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 142.33 116.06 1.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -45.97 -25.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -44.73 -48.47 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.83 -44.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -47.35 -43.82 23.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.98 -48.15 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 65.0 t -44.65 -53.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 53.0 mt -57.13 -47.75 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.69 -36.05 34.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 590' ' ' ALA . 13.6 m -63.69 -51.54 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 95.1 mt -48.85 -28.7 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 39.5 t -81.01 -26.54 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -74.3 -26.39 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.3 tp -102.66 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 591' ' ' ILE . 36.2 mt-10 -53.73 -110.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.7 OUTLIER 39.83 75.72 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.21 10.45 1.78 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.011 2.474 . . . . 0.0 111.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.3 mmt -95.58 -33.62 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.2 p -63.27 -13.89 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.4 p -43.18 -44.29 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.13 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.22 -40.21 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -55.04 -34.46 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.34 -51.81 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 602' ' ' LEU . 18.1 mt -47.46 -69.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.584 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 7.3 t -54.67 -28.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.2 -54.89 32.46 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 11.2 t -64.48 -68.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 69.1 m -82.25 118.92 23.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.18 -82.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.575 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -96.17 115.82 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.07 148.44 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.426 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 78.6 m-85 -105.08 129.98 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.11 99.83 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -76.85 119.92 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.658 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -91.66 141.95 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.596 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -64.9 -28.58 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.439 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -64.5 -36.47 84.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.75 70.54 0.2 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -175.94 122.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.6 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -97.73 111.82 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -96.34 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 3.4 m -101.06 122.88 44.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.184 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -126.5 137.61 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -86.53 112.75 21.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.8 -178.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 1.1 mt-10 -126.82 176.94 2.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.258 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.92 -26.29 11.24 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.762 2.308 . . . . 0.0 112.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.13 -0.46 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.4 m-20 -71.01 134.82 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -87.52 146.87 25.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.0 mm -48.37 -59.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -43.83 -36.01 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.76 -47.18 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.194 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.91 -47.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.24 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -54.97 -36.18 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.19 -50.91 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.86 -40.72 69.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.356 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -63.1 -48.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.51 -38.81 60.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.491 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -75.22 -62.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -85.45 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 173.87 6.18 0.03 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 33.7 mt -79.81 132.01 62.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.607 0.241 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.71 143.23 33.44 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.629 2.219 . . . . 0.0 111.961 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.688 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.37 -50.56 10.05 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.865 2.377 . . . . 0.0 111.959 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 39' ' ' ASP . 0.8 OUTLIER -62.49 21.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.688 ' H ' ' C ' ' B' ' 38' ' ' PRO . 23.5 mt-30 -153.23 46.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -146.58 133.17 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -126.2 108.54 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.88 115.2 27.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.22 142.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' B' ' 47' ' ' GLY . 72.2 t80 -167.51 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 48' ' ' LYS . . . -69.27 57.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 61.94 -4.94 0.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' B' ' 46' ' ' ALA . 34.6 mtpt -153.21 -166.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.65 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -92.99 145.41 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.31 131.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.72 158.65 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -75.88 125.27 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 125.36 -62.64 0.59 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.7 mmt180 -42.98 168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 57' ' ' SER . 21.4 p -116.83 157.76 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.01 -0.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.486 ' H ' ' C ' ' B' ' 55' ' ' THR . 3.8 t -94.48 -35.95 12.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -38.92 88.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -87.0 4.81 40.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 60.0 26.57 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.651 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.5 97.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' B' ' 65' ' ' SER . 36.4 mt-30 -72.55 -159.02 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -87.7 162.13 17.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 30.05 17.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.784 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 62' ' ' GLN . 1.4 m -83.01 131.85 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.37 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -94.78 105.24 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.27 174.89 7.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.427 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.43 100.87 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -85.59 132.84 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.03 106.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.654 HD23 ' N ' ' B' ' 71' ' ' LEU . 1.4 pt? -75.89 164.81 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -69.47 -109.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.456 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.427 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 42.1 mt -133.22 129.69 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -50.76 152.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.8 -98.79 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.931 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.43 ' SD ' ' C ' ' C' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.21 110.45 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -106.5 153.2 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -109.84 153.19 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.692 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -131.95 101.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.22 136.78 33.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.411 ' O ' ' N ' ' C' ' 9' ' ' THR . 53.7 p -102.01 142.04 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.83 64.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.411 ' N ' ' O ' ' C' ' 7' ' ' THR . 7.2 m -166.2 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.15 68.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -173.02 131.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -116.75 119.71 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.414 HD13 HG21 ' C' ' 13' ' ' ILE . 1.4 mt -101.48 124.75 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.692 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 35.4 m -92.4 126.24 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.26 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.84 130.94 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.79 119.7 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.214 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.4 m -140.15 -161.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.43 ' C ' ' SD ' ' C' ' 1' ' ' MET . 1.6 mt-10 -143.73 175.4 2.86 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.85 11.36 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.744 2.296 . . . . 0.0 112.111 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.84 2.59 53.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.69 137.56 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -87.49 142.74 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -48.23 -50.6 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.09 -37.44 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -65.19 -43.99 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.295 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.59 -50.05 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ1' ' HA ' ' C' ' 42' ' ' ARG . 62.4 mttm -53.12 -41.49 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.253 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.83 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.261 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.25 -41.09 92.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.298 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.11 -38.91 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.82 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.78 -27.96 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -78.59 -63.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.0 -102.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.28 8.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.437 ' H ' ' H ' ' C' ' 35' ' ' GLY . 51.7 mt -82.11 129.97 61.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.68 0.276 . . . . 0.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.59 143.63 34.5 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.597 2.198 . . . . 0.0 111.939 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' C' ' 39' ' ' ASP . 2.7 Cg_endo -46.07 -67.04 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.846 2.364 . . . . 0.0 112.17 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' C' ' 38' ' ' PRO . 6.8 m-20 -35.41 -41.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -75.91 -45.06 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' C' ' 38' ' ' PRO . 73.3 mt-30 -46.37 168.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.451 ' HA ' ' HZ1' ' C' ' 27' ' ' LYS . 6.5 tpp180 -170.08 99.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 mt -83.15 122.97 29.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.46 HD12 HG21 ' C' ' 70' ' ' VAL . 8.5 mt -122.74 132.73 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' C' ' 48' ' ' LYS . 70.5 t80 -132.58 135.83 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' C' ' 48' ' ' LYS . . . 44.15 43.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.52 -13.12 1.69 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.9 mtpm? -85.59 110.34 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -70.57 126.14 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.49 141.65 34.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -101.32 159.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.576 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.91 145.39 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 105.18 -58.67 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 53' ' ' GLY . 15.8 mmt180 -47.62 177.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.595 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -121.19 163.77 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.84 -7.23 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -88.72 -39.12 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.0 -39.19 71.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.21 -3.51 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.65 17.51 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.53 97.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -73.75 -172.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.86 159.32 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 60.65 28.94 18.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.1 m -84.75 126.87 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -88.29 100.0 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.4 125.23 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.23 107.48 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.44 129.34 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.606 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.6 t -141.63 174.95 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.604 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.606 ' H ' HG12 ' C' ' 70' ' ' VAL . 24.4 mt -113.73 149.68 34.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -108.18 158.82 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -173.21 98.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -69.31 176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.82 -148.72 5.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.798 0.332 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ILE . . . . . 0.427 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.0 mm -47.51 -46.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 34.9 tp -50.87 -45.96 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.12 -56.07 23.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.6 mp -47.96 -48.1 32.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.52 -37.6 26.49 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 495' ' ' ILE . 67.3 mt -82.73 -12.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.28 -53.08 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' PHE . . . . . 0.491 ' C ' ' H ' ' A' ' 499' ' ' GLY . 13.5 m-85 -57.07 -20.92 27.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -65.85 5.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -87.38 -97.66 0.88 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.8 t -94.89 -18.94 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 6.3 ttpm? 58.64 80.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.506 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.517 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 5.9 t-20 -86.43 -166.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.517 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 24.8 t70 -99.33 6.87 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.77 -33.09 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 110.153 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.48 ' H ' HG23 ' A' ' 505' ' ' VAL . 1.9 t -47.88 -62.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.29 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.1 mp -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.78 -9.93 57.21 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 33.8 tp -129.41 -44.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.5 -52.25 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.621 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.4 tp -50.0 -59.87 6.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.857 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.621 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.6 -51.81 8.41 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.45 2.1 . . . . 0.0 111.614 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.19 -23.11 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.88 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.594 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -168.4 24.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.7 OUTLIER -69.95 -48.29 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.41 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.444 ' HG1' ' C ' ' A' ' 515' ' ' SER . 2.8 m -169.93 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -173.9 31.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.72 151.11 1.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.78 150.2 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.794 2.329 . . . . 0.0 111.932 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 520' ' ' ILE . 67.9 mt -69.28 -4.36 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.71 -78.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 522' ' ' THR . 0.1 OUTLIER -58.82 -39.8 82.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.02 -55.83 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.08 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 528' ' ' LEU . 21.6 mmt -41.82 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -42.87 -58.08 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -51.5 -30.33 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -58.69 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.11 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.0 tt -56.28 -68.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.4 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -44.84 -45.09 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 89.3 t -76.37 -64.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 506' ' ' LEU . 20.8 m-85 -73.21 29.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.1 p -54.18 -29.12 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -96.86 -74.78 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -59.48 109.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.557 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.79 -178.26 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 52.3 t-20 -171.53 151.77 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.6 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -65.68 -45.48 88.86 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ASP . . . . . 0.493 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 59.3 m-20 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.512 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.81 -51.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 544' ' ' THR . 61.6 m -60.85 -67.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 543' ' ' THR . 50.8 p -38.13 -44.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' B' ' 73' ' ' LEU . 11.2 m -67.13 -52.62 39.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -26.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -68.37 -49.1 62.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.43 -43.21 67.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.62 -34.35 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.79 -30.81 61.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 553' ' ' ARG . 1.1 tt -62.38 -55.37 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -74.01 21.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 551' ' ' LEU . 47.1 ttp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.401 ' H ' ' H ' ' A' ' 563' ' ' VAL . 12.6 p-90 179.09 -6.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.401 ' H ' ' H ' ' A' ' 562' ' ' TRP . 21.9 t -61.56 -16.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -66.66 -75.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -48.92 -43.34 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.29 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.74 -51.99 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 571' ' ' GLY . 15.8 tp -46.01 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -41.4 -71.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.01 -21.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 568' ' ' LEU . . . -80.72 -74.18 1.14 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 pt -58.28 -11.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.85 -66.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.5 121.75 16.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 75.1 mtp -50.78 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -168.77 53.69 0.21 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -67.49 -140.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -161.95 -72.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.36 -28.8 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.514 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.3 -45.66 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.8 -48.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.08 -39.62 28.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.88 -44.65 84.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.77 -59.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.71 -46.39 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLU . . . . . 0.493 ' OE1' ' ND1' ' B' ' 68' ' ' HIS . 4.6 tm-20 -57.59 -36.9 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' B' ' 68' ' ' HIS . 26.8 m -65.78 -53.17 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -46.99 -29.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 68.8 m -75.5 -39.99 57.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -62.84 -14.64 48.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 69.6 mt -103.34 78.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 55.86 -139.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.6 OUTLIER -169.73 73.31 0.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.649 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.64 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.964 2.443 . . . . 0.0 112.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 52.8 mtp -84.41 18.93 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -74.82 -13.64 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 30.2 t -41.96 -45.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.53 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.38 -33.56 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -59.04 -38.47 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.01 -32.11 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -62.19 -67.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.26 -30.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.79 -51.92 54.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 79.8 p -54.8 -46.13 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 11.2 t -79.64 119.86 23.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 173.53 -174.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.439 ' O ' ' OE1' ' B' ' 64' ' ' GLU . 78.0 mt-30 -91.13 106.6 18.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -101.02 150.42 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.41 140.42 37.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.67 102.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.251 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -83.93 119.26 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -91.58 142.17 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.568 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -59.09 -24.52 63.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.501 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -77.23 0.81 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.28 79.35 0.99 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -172.6 113.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.7 m -94.28 118.54 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.9 136.85 43.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.642 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -104.87 121.08 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.5 133.93 47.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -81.51 124.73 29.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.449 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 m -147.59 176.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.656 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 21.1 mt-10 -133.3 152.78 80.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.337 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 -34.54 10.01 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.889 2.392 . . . . 0.0 112.188 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -35.09 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.712 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.656 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.0 m-20 -42.54 138.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 25' ' ' ASN . 5.4 p -93.77 140.46 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mm -41.53 -49.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -52.61 -39.81 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' B' ' 22' ' ' THR . 21.9 t-20 -61.66 -45.92 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.07 -50.81 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -49.91 -42.11 47.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.91 92.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.38 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -56.14 -41.86 76.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.88 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.69 -32.34 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -76.32 -30.08 57.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -76.16 -61.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.08 -79.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.495 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.85 -0.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -70.9 126.52 92.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.37 142.06 32.81 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.588 2.192 . . . . 0.0 111.898 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.538 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.9 Cg_endo -46.22 -56.63 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.799 2.332 . . . . 0.0 111.995 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.13 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.538 ' H ' ' C ' ' B' ' 38' ' ' PRO . 20.0 mm100 -127.14 65.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.537 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -151.73 152.19 32.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -145.56 102.12 3.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.519 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 14.1 mt -97.26 128.02 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.402 HG22 ' HB1' ' A' ' 590' ' ' ALA . 26.7 mt -123.54 141.9 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.652 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.4 t80 -130.75 177.39 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.652 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -33.76 -38.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -75.85 -90.13 0.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 49.7 tttt -153.61 -141.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 9.2 tp-100 -84.21 132.49 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.457 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.71 125.74 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -83.5 159.78 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.92 159.82 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.14 -59.97 4.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 53' ' ' GLY . 11.5 mmt180 -42.86 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.603 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.513 ' C ' ' H ' ' B' ' 57' ' ' SER . 30.8 p -116.43 158.48 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.49 2.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.513 ' H ' ' C ' ' B' ' 55' ' ' THR . 38.4 t -96.38 -29.4 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -72.08 4.66 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -131.49 8.37 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 55.98 24.77 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.653 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.92 102.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -83.2 -162.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -80.54 157.38 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 2' ' ' GLN . 5.7 mm-40 60.1 25.73 15.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -82.05 131.67 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.11 121.41 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.22 120.69 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.493 ' ND1' ' OE1' ' A' ' 586' ' ' GLU . 0.2 OUTLIER -76.12 104.19 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.77 134.85 36.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.37 140.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.639 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.6 mp -83.68 134.38 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' HB3' HE22 ' B' ' 40' ' ' GLN . 54.5 ttm-85 -42.7 -66.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 545' ' ' SER . 56.3 tp -174.3 88.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.493 ' NH2' ' OD1' ' A' ' 541' ' ' ASP . 35.0 ttp85 -93.03 81.88 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.89 -119.27 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 117.949 -1.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.558 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -114.38 107.36 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.38 152.75 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.409 ' CE1' HG23 ' C' ' 14' ' ' THR . 93.3 m-85 -111.68 149.71 31.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.25 103.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.319 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -83.38 147.14 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' C' ' 9' ' ' THR . 15.3 p -125.6 146.74 49.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -70.77 42.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' C' ' 7' ' ' THR . 49.2 p -151.47 33.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.61 71.73 0.65 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -169.61 126.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 11.8 m -121.41 115.6 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.411 HG21 HD13 ' C' ' 13' ' ' ILE . 3.1 mt -96.09 134.71 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.409 HG23 ' CE1' ' C' ' 4' ' ' PHE . 4.2 m -100.73 125.79 47.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.388 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -130.46 132.01 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.745 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.03 123.03 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.558 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -145.53 -174.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.651 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 7.0 mt-10 -138.76 147.79 55.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.294 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.8 -14.16 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.833 2.355 . . . . 0.0 112.252 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -92.69 -23.96 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.651 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -49.32 141.29 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.343 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.483 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.0 p -95.93 134.96 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.7 mm -35.57 -56.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -46.74 -43.89 18.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' C' ' 22' ' ' THR . 15.0 t-20 -59.68 -43.76 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -51.29 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.154 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -52.53 -33.39 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.69 -46.98 73.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.378 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -59.1 -35.69 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 mt -68.91 -45.95 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -57.71 -31.5 66.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -75.96 -32.12 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -73.96 -51.85 14.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -97.99 -107.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.33 18.99 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.469 HG22 ' O ' ' C' ' 40' ' ' GLN . 10.4 mt -94.15 103.28 10.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.28 147.35 2.45 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.587 2.192 . . . . 0.0 111.849 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.98 -67.38 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.829 2.352 . . . . 0.0 112.06 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' C' ' 40' ' ' GLN . 6.6 p30 -42.47 -29.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' GLN . . . . . 0.481 ' N ' ' OD1' ' C' ' 39' ' ' ASP . 59.6 mm-40 -95.09 53.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 64.4 mt-30 -154.06 161.76 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 66.8 ttt180 -158.55 104.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.75 131.07 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.594 HD12 HG21 ' C' ' 70' ' ' VAL . 58.3 mt -128.14 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -142.41 128.89 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.32 10.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.65 40.22 15.69 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -147.06 125.21 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 13.5 tt0 -70.89 135.94 48.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.81 117.94 29.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -72.59 157.98 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -83.3 163.89 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.09 -33.63 3.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -77.06 169.88 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' C' ' 58' ' ' ASP . 22.9 p -108.97 164.25 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' C' ' 17' ' ' VAL . 86.6 mt -60.17 -35.6 75.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -66.62 -18.3 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' OG1' ' C' ' 55' ' ' THR . 8.2 m-20 -77.67 4.03 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.637 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -133.63 12.66 4.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 64.48 9.31 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.78 99.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.65 -158.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.676 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -85.71 159.09 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 53.86 30.16 11.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 43.1 m -78.53 129.95 35.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 30.4 m -89.84 99.23 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -80.98 168.61 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -121.78 103.03 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.3 135.1 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.594 HG21 HD12 ' C' ' 44' ' ' ILE . 2.9 t -142.08 153.84 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -110.82 104.63 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.7 179.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp -171.35 147.15 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -56.29 161.43 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.26 -143.07 3.56 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 97.2 mt -50.11 -23.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -57.15 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.5 -30.58 56.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.08 -51.45 64.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.54 -34.64 49.84 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 76.3 mt -76.11 -20.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.91 -39.64 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.55 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -100.39 41.48 2.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 6.4 t -161.52 -66.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.1 tttt 65.74 65.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.8 t-20 -91.59 -168.49 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.654 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 2.8 p-10 -106.66 -12.49 15.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -78.27 -20.26 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.268 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 505' ' ' VAL . 1.8 t -55.7 -45.67 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.48 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 530' ' ' LEU . 3.6 mt -90.43 -18.97 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.71 -11.95 69.81 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.37 -44.12 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 110.672 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 509' ' ' LEU . 87.6 mt -70.51 -54.88 10.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.2 tp -47.42 -58.65 6.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.421 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.68 -50.33 11.76 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.417 2.078 . . . . 0.0 111.455 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ILE . . . . . 0.827 ' O ' HD22 ' A' ' 518' ' ' LEU . 60.9 mt -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.234 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -111.89 18.04 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.425 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ALA . . . . . 0.416 ' O ' HD11 ' B' ' 73' ' ' LEU . . . 178.86 70.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.488 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 52.0 p -148.8 12.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 73.92 104.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 35.1 t0 62.81 115.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.424 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 512' ' ' ILE . 0.8 OUTLIER -167.14 156.84 9.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 519' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.8 Cg_endo -44.07 129.98 8.1 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.91 2.407 . . . . 0.0 112.029 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ILE . . . . . 0.427 ' H ' HG22 ' A' ' 520' ' ' ILE . 8.6 tt -79.93 -13.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 523' ' ' ALA . 30.1 mt-10 -74.08 -74.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.626 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 526' ' ' ALA . 80.2 p -64.39 2.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 519' ' ' PRO . . . -69.24 -68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -62.75 -55.6 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.6 mtt -43.28 -44.84 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 522' ' ' THR . . . -57.99 -59.74 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 527' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 28.5 p -48.92 -15.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -78.48 -58.06 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.93 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.654 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 506' ' ' LEU . 95.8 mt -72.34 -75.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -39.65 -41.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.73 -49.45 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' A' ' 535' ' ' VAL . 74.7 t -76.54 -59.42 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.649 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 15.9 m-85 -67.52 10.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.0 p -45.82 -41.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -75.0 -54.28 5.83 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 47.3 p -68.1 -172.8 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.6 t -173.86 137.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -149.12 129.89 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -54.71 -36.96 60.29 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -46.21 -40.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.27 -46.01 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 16.5 m -63.86 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.5 p -42.18 -35.0 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.7 m -74.84 -50.94 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.322 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -36.39 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.0 tpt -66.01 -42.22 89.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.458 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.15 -42.86 63.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 553' ' ' ARG . 2.8 t-20 -63.87 -52.36 60.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -41.47 -31.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.24 -63.53 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 1.1 mm-40 -81.69 18.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 549' ' ' ASN . 13.6 tpt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 562' ' ' TRP . . . . . 0.4 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 57.0 p-90 -165.03 -41.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' VAL . . . . . 0.4 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 7.4 p -54.29 -25.42 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -63.6 -71.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -55.65 -48.84 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.37 -48.35 62.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.42 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.02 -48.99 77.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -61.76 -75.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 46.8 tp -42.63 -21.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.93 -75.81 0.93 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.04 -28.99 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.5 tp -44.58 -52.58 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.11 101.6 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -85.47 -31.62 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.88 177.16 52.22 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -150.51 119.53 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.27 -168.78 35.58 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -49.66 -35.34 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -42.72 -39.29 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.38 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.9 OUTLIER -42.77 -44.48 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.84 -48.79 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.4 t -46.68 -54.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.82 -51.06 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.52 -34.92 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 590' ' ' ALA . 8.1 m -68.07 -52.03 39.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.1 mt -46.64 -27.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.7 t -80.12 -35.08 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.55 -25.41 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 44.1 mt -95.43 146.05 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.67 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.1 t60 54.25 77.38 0.44 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.79 15.12 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.904 2.403 . . . . 0.0 111.973 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' MET . . . . . 0.454 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.0 tpt -73.65 -29.46 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.482 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 599' ' ' ILE . 39.0 p -59.65 -3.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.7 t -42.82 -32.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.79 -39.44 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 596' ' ' THR . 76.7 mt -69.7 -25.82 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.19 -39.13 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.62 -52.71 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.37 -69.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.64 -45.85 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.45 -42.82 57.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 t -65.27 -44.94 86.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 28.1 t -80.3 120.22 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.22 173.21 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 17' ' ' VAL . 20.9 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -85.53 106.44 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -112.73 152.2 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.495 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -104.4 153.77 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.68 104.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -88.96 131.85 34.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.437 ' C ' ' H ' ' B' ' 9' ' ' THR . 17.9 p -100.21 143.72 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.468 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.465 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -64.28 -0.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 7' ' ' THR . 51.7 p -91.95 -34.89 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.2 71.21 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -174.74 137.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -113.72 120.02 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.556 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.38 140.61 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -110.63 123.58 50.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.21 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -126.85 137.44 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.19 109.78 21.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.4 m -131.6 -168.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.755 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.646 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 10.9 mt-10 -142.07 150.2 55.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.329 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.65 -42.69 18.93 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.049 2.499 . . . . 0.0 112.572 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.3 t -72.58 -5.18 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.319 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.646 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.5 m-20 -67.7 137.7 55.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.658 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -87.37 139.37 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -45.41 -48.05 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.355 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -50.92 -44.64 60.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.219 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.505 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 10.5 t-20 -59.66 -40.49 87.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.269 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.23 -48.31 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -53.52 -41.14 66.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.177 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.35 97.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 55.1 mttp -58.18 -45.14 88.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.406 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.36 -39.21 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -60.16 -40.48 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.28 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -73.69 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.32 -88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.06 16.84 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 15.8 mt -80.36 112.33 29.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.66 0.267 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.45 134.15 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.568 2.179 . . . . 0.0 111.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.3 -39.72 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.674 2.25 . . . . 0.0 111.989 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.4 15.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' B' ' 38' ' ' PRO . 63.8 mt-30 -147.74 55.78 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 72.2 mt-30 -149.09 93.7 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -89.89 104.31 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -98.91 130.9 45.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.403 HG21 HD13 ' B' ' 44' ' ' ILE . 11.5 mt -131.18 141.02 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 57.6 t80 -131.71 170.89 14.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.678 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -31.65 -50.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.28 -88.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -152.86 -143.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.305 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -88.07 133.89 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.07 102.63 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.79 158.63 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.46 172.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 72.18 -71.05 1.0 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLY . 14.4 mmt180 -40.93 164.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -114.15 166.97 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.2 mt -63.5 -16.39 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' B' ' 59' ' ' TYR . 26.4 p -76.35 -33.61 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.51 16.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' B' ' 57' ' ' SER . 73.3 m-85 -138.94 1.75 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.8 26.11 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.689 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 107.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.401 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -87.32 -159.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -86.68 161.24 18.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 56.63 25.61 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.74 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -77.89 166.63 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.396 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -122.46 102.33 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.659 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -87.02 161.4 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -119.94 105.22 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.461 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -89.0 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.5 t -149.32 106.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.493 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.755 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.8 pt? -85.21 147.78 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -67.17 -177.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 514' ' ' ALA . 17.3 mt -53.9 120.28 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -47.73 151.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.67 75.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.025 -1.43 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -101.32 112.34 24.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -104.07 152.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -107.28 153.72 22.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -129.1 100.69 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.232 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -83.69 133.14 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.727 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p -83.88 -138.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.82 38.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -152.86 -27.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.68 70.89 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -171.85 137.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.561 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -131.39 109.18 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.59 139.43 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' THR . . . . . 0.562 ' C ' HD12 ' C' ' 15' ' ' LEU . 2.9 m -103.31 112.91 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.329 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.562 HD12 ' C ' ' C' ' 14' ' ' THR . 10.4 mp -115.47 128.19 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.827 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.11 113.72 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.1 m -136.34 -175.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' GLU . . . . . 0.632 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -135.44 178.99 1.5 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.117 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.62 -25.2 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.749 2.299 . . . . 0.0 112.229 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.1 p -89.17 -5.46 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ASP . . . . . 0.632 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -66.24 139.0 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -90.26 139.55 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.51 -51.63 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.298 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.95 -42.93 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.276 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 13.1 t-20 -59.88 -48.02 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.44 -49.02 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.193 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.49 -33.11 59.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.208 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.17 -47.86 72.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.405 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.12 -38.02 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.21 -39.81 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.458 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.25 -37.77 84.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.411 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.51 -27.45 63.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.518 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -77.04 -56.29 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -96.77 -93.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.26 12.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 18.4 mt -79.76 111.54 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.632 0.253 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.63 138.07 14.87 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.53 2.154 . . . . 0.0 111.79 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.41 -39.14 21.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.736 2.29 . . . . 0.0 111.957 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.24 -58.08 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.697 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.41 -42.2 86.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.657 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' GLN . . . . . 0.561 ' O ' ' NH1' ' C' ' 42' ' ' ARG . 76.4 mt-30 -44.58 151.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.619 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ARG . . . . . 0.561 ' NH1' ' O ' ' C' ' 41' ' ' GLN . 6.4 tpp180 -149.84 106.65 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -94.58 120.62 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -125.52 127.79 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -138.66 148.23 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.6 37.57 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.47 44.94 95.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -157.06 131.16 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.57 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -72.69 135.18 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.76 132.83 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.04 158.66 19.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -78.9 158.1 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 53' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 88.5 -60.96 3.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.1 mmt180 -42.61 169.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.493 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.9 p -117.4 157.97 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.72 0.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' SER . . . . . 0.493 ' H ' ' C ' ' C' ' 55' ' ' THR . 7.0 t -97.31 -10.74 25.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -86.91 -38.84 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -83.54 2.18 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 68.66 8.71 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -53.01 113.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.29 -162.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -86.02 158.21 19.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 55.7 32.75 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -83.85 141.91 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -89.86 107.62 19.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.38 114.39 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.77 108.0 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.473 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -91.87 129.28 37.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.539 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.572 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.9 t -141.01 172.5 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.572 ' H ' HG12 ' C' ' 70' ' ' VAL . 9.5 mp -100.03 166.97 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -135.29 157.91 45.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.422 ' C ' HD23 ' C' ' 73' ' ' LEU . 1.7 tt -171.58 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ptt-85 -44.58 157.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.46 127.51 0.89 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 483' ' ' THR . 0.0 OUTLIER -59.81 98.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -171.6 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.6 tt -57.37 -30.36 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 43.4 m -58.31 -50.79 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 36.9 m -52.87 -33.16 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.49 61.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.98 -71.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.1 mm -43.98 -32.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.98 -56.29 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.1 -56.33 23.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 496' ' ' ALA . 11.0 mp -45.88 -57.6 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -43.99 -36.78 3.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.29 -16.99 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.667 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -67.52 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -79.1 27.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.01 89.81 0.59 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 21.5 p -165.25 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.337 . . . . 0.0 110.571 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 501' ' ' LYS . 24.9 mtmm 55.48 57.6 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 25.5 t-20 -76.21 -150.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.502 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 17.1 m-20 -123.02 -24.67 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.37 -17.76 61.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.6 OUTLIER -65.88 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -64.39 -10.36 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.348 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.77 67.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 508' ' ' LEU . 0.8 OUTLIER -102.0 -28.53 12.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.87 -45.64 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.678 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.546 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.4 mt -48.13 -66.05 0.64 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.649 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.0 -53.5 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.68 2.253 . . . . 0.0 111.734 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.417 ' O ' HD22 ' A' ' 518' ' ' LEU . 4.5 mm -42.62 -31.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.73 36.85 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -157.37 -33.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.564 ' O ' ' OG1' ' A' ' 516' ' ' THR . 0.6 OUTLIER -38.28 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.633 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 515' ' ' SER . 4.9 m -172.23 98.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.736 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 516' ' ' THR . 13.9 t70 52.61 113.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' NH1' ' A' ' 553' ' ' ARG . 4.0 mp -137.58 148.04 59.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.48 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.76 121.74 3.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.858 2.372 . . . . 0.0 111.954 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 520' ' ' ILE . 68.9 mt -55.92 -6.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 519' ' ' PRO . 39.6 tp10 -64.09 -54.32 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 38.2 m -99.4 -32.32 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.622 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.96 -65.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.28 -65.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.8 mtt -39.87 -67.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 27.1 t -41.58 -50.92 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -48.61 -61.64 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.55 -49.95 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.5 tt -44.42 -57.97 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.44 -39.04 93.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.9 -53.06 10.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 535' ' ' VAL . 69.1 t -70.08 -63.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.512 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -75.84 31.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -62.13 -33.2 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.633 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -73.71 -81.63 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.6 t -67.92 -171.2 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.521 ' N ' ' OG1' ' A' ' 537' ' ' THR . 28.2 p -173.08 -177.33 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -167.16 170.4 11.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.62 -53.17 6.07 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -39.54 -45.67 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.95 -52.35 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.425 HG21 ' OH ' ' A' ' 574' ' ' TYR . 12.1 m -62.35 -63.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.9 p -40.18 -36.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 548' ' ' ASP . 8.0 m -76.44 -66.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.249 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -39.68 -30.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 545' ' ' SER . 4.0 tpt -72.55 -47.9 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 545' ' ' SER . 78.6 m-20 -48.05 -37.51 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 552' ' ' GLU . 53.5 t-20 -69.65 -52.41 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.459 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -40.89 -35.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.5 mp -76.97 -41.86 41.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.483 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 56.2 mm-40 -75.3 14.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER -99.76 89.1 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.6 ' C ' ' H ' ' A' ' 556' ' ' ILE . 35.2 p -100.25 140.59 34.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -69.54 29.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.6 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.6 -26.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.543 -179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.74 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 558' ' ' LEU . 0.3 OUTLIER -165.94 179.7 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 560' ' ' THR . 32.0 ttmt -90.71 121.46 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.524 ' O ' ' CE3' ' A' ' 562' ' ' TRP . 92.7 m -168.13 150.72 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 561' ' ' ASP . 0.4 OUTLIER -82.93 130.0 35.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 560' ' ' THR . 2.7 p90 -146.63 -12.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 563' ' ' VAL . 7.0 p -52.96 -15.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -70.92 -37.76 72.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -81.19 -60.67 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.3 mp -43.51 -46.13 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.33 51.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.3 tp -46.66 -72.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.525 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.89 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.4 tp -41.18 -23.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -75.62 -75.96 0.81 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.8 mt -50.71 -27.2 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 49.2 tp -46.28 -26.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 543' ' ' THR . 54.5 m-85 -118.0 163.39 16.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ptm -173.86 -14.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -77.34 -150.6 4.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -149.82 144.01 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.708 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 140.35 69.63 0.04 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 578' ' ' GLY . 7.0 mp0 25.97 34.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.708 ' N ' ' O ' ' A' ' 578' ' ' GLY . 54.5 mt-30 -69.69 -63.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.77 -28.27 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -58.91 -49.44 77.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.7 -42.71 99.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.486 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.1 t -51.8 -56.02 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.8 mp -53.99 -40.53 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.42 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -54.17 -39.36 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.33 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 590' ' ' ALA . 40.1 m -61.97 -55.77 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.08 -28.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.297 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 46.5 t -86.46 -29.51 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.92 -36.25 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.327 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 592' ' ' GLU . 13.6 pt -89.44 -157.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 591' ' ' ILE . 22.1 mt-10 -59.31 -147.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 3.1 p-80 -157.47 68.31 4.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 593' ' ' HIS . 3.1 Cg_exo -75.85 -158.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.939 2.426 . . . . 0.0 111.915 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.49 -19.0 63.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.5 m -49.53 -26.36 3.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 80.8 p -43.01 -37.98 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -53.33 -39.05 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.25 -40.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -50.55 -31.95 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.32 -49.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.5 tp -47.51 -62.41 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.29 -52.87 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -44.69 -31.92 2.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 20.9 t -76.59 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.499 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 46.6 t -74.98 119.15 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 177.39 160.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -61.88 166.76 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 1.2 t -55.59 137.59 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -159.21 49.97 0.4 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 65.1 p -83.69 -133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -94.37 121.25 35.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -126.73 151.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.493 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 92.1 m-85 -108.14 141.27 40.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.604 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -120.25 103.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -89.11 117.65 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.719 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.18 142.56 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.505 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -53.19 -45.3 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -46.33 -62.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.78 82.12 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -175.11 159.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -136.75 104.59 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.55 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.744 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.493 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 51.1 m -109.2 125.35 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -120.47 158.22 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.717 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -111.0 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' B' ' 56' ' ' LEU . 9.7 m -98.19 -174.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.768 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 50.6 mt-10 -135.58 146.6 58.14 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.24 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.0 -23.51 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.902 2.401 . . . . 0.0 112.297 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 22.83 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.3 m-20 -96.17 133.1 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.5 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.1 p -82.21 139.12 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 21.5 mm -40.92 -50.49 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.62 -39.32 57.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 22' ' ' THR . 14.8 t-20 -63.21 -41.27 99.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.325 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.01 -50.08 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -52.81 -38.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.3 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.79 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -56.61 -38.74 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.75 -45.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -55.22 -34.93 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.32 -29.28 61.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -74.08 -57.79 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -97.7 -81.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.73 12.49 0.05 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.514 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 43.6 mt -79.86 113.18 35.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.652 0.263 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.19 138.47 13.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.53 2.154 . . . . 0.0 111.919 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.61 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.724 2.283 . . . . 0.0 111.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.5 -34.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -95.49 59.82 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 70.5 mt-30 -153.01 106.32 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -103.41 103.72 13.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.64 131.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.75 147.67 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.449 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.5 t80 -137.71 177.22 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.639 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -34.89 -34.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.6 -89.56 0.53 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 16.6 ttmt -153.43 -142.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.538 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 48.9 tt0 -84.12 131.43 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.421 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.6 mt -83.1 128.41 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.7 mp0 -80.12 159.52 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.02 110.23 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 145.66 -66.32 0.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -46.17 175.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 p -115.71 169.44 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' B' ' 17' ' ' VAL . 72.4 mt -69.97 -10.61 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.1 p -88.49 -11.93 44.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -82.34 -39.96 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -86.03 5.97 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.27 35.28 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.94 101.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -80.2 -157.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.65 160.53 19.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 59.3 35.18 23.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -94.47 130.74 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.8 m -94.32 105.27 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.56 123.27 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.34 101.36 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.459 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.27 131.85 39.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.31 135.9 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.401 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.662 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.3 mp -79.54 125.56 29.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.567 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' B' ' 73' ' ' LEU . 53.7 ttt85 -81.91 75.57 8.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' B' ' 72' ' ' ARG . 8.7 mt 58.8 148.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 73' ' ' LEU . 93.1 mtt180 -41.93 163.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.62 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.419 ' O ' ' OXT' ' B' ' 76' ' ' GLY . . . -160.38 106.88 0.3 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.419 ' OXT' ' O ' ' B' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.02 -1.433 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.9 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -95.25 112.28 24.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -114.92 155.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' C' ' 14' ' ' THR . 68.6 m-85 -113.06 146.02 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.76 107.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.41 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -86.02 134.1 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.498 ' C ' ' H ' ' C' ' 9' ' ' THR . 67.8 p -85.49 163.58 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' C' ' 8' ' ' LEU . 0.1 OUTLIER -71.03 40.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.498 ' H ' ' C ' ' C' ' 7' ' ' THR . 3.2 m -153.18 -57.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.21 -51.56 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -43.63 137.44 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.454 HG22 ' N ' ' C' ' 13' ' ' ILE . 31.8 m -123.26 157.61 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' C' ' 12' ' ' THR . 3.4 mt -131.08 138.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.548 ' C ' HD22 ' C' ' 15' ' ' LEU . 8.8 m -105.84 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.85 ' N ' HD22 ' C' ' 15' ' ' LEU . 2.5 mm? -101.53 127.44 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.478 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -88.87 82.28 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.291 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -106.97 -166.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.462 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -136.35 178.07 1.91 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.061 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.58 -26.18 12.06 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.29 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 16.59 13.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.5 m-20 -87.68 138.76 31.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.2 p -87.41 141.45 28.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -46.2 -53.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -44.76 -43.79 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.174 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 40.4 t-20 -59.92 -47.78 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -54.33 -51.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.163 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -51.82 -35.31 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.091 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.51 -46.4 86.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.09 -29.94 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.312 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.81 -39.34 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.381 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.38 -35.76 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.406 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.08 -31.05 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.633 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -76.12 -63.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.08 -90.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 165.64 3.98 0.04 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 34.0 mt -79.35 131.5 65.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.618 0.247 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.12 143.55 36.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.551 2.167 . . . . 0.0 111.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.553 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -45.86 -61.67 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.792 2.328 . . . . 0.0 111.96 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -41.33 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' C' ' 38' ' ' PRO . 82.9 mt-30 -112.13 54.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -146.78 168.11 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.645 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -171.09 103.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 mt -85.26 128.61 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.474 HD13 HE21 ' C' ' 49' ' ' GLN . 7.9 mt -125.2 139.84 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -144.92 134.7 23.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.14 25.94 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 51.27 10.74 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.64 135.95 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.474 HE21 HD13 ' C' ' 44' ' ' ILE . 26.0 mp0 -74.32 135.95 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 mt -93.78 105.85 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.58 154.74 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.58 173.97 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.24 -41.99 2.97 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.44 170.86 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -116.5 167.07 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.6 mt -69.26 -5.3 22.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -88.46 -29.68 19.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.31 -39.41 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -87.77 8.5 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 58.34 16.69 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.46 101.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.393 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' C' ' 65' ' ' SER . 37.8 mt-30 -81.2 -157.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -86.31 160.44 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 59.2 32.17 21.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' C' ' 62' ' ' GLN . 1.3 m -89.11 126.98 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -90.48 96.84 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.59 129.91 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -82.33 99.66 9.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.1 133.74 36.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.496 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.2 t -141.01 168.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.496 ' H ' HG12 ' C' ' 70' ' ' VAL . 22.4 mt -115.39 99.38 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' C' ' 73' ' ' LEU . 45.0 ttt85 -58.84 162.38 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' C' ' 72' ' ' ARG . 6.4 tp -156.61 141.75 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -62.98 -178.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.16 -133.62 1.75 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 483' ' ' THR . 0.9 OUTLIER -64.2 171.64 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.35 93.95 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.56 -14.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 44.5 m -62.48 -53.03 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 18.2 t -51.53 -57.26 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.667 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.13 -38.48 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.668 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -59.28 -72.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.7 mm -53.24 -40.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.94 -50.77 6.05 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 18.2 tp -61.41 -34.41 75.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.51 18.31 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.5 tt -76.05 -12.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -62.56 -63.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.631 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.6 p90 -79.17 18.89 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -44.85 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.67 88.34 1.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.2 m -154.45 -66.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.3 tttm 58.84 44.2 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -83.27 -150.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -88.96 -41.33 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 3.1 t -48.32 -51.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.375 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.6 mp -86.64 -19.91 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.43 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.87 -4.82 55.91 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.9 -42.91 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.15 -58.67 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.9 tp -45.08 -59.97 3.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.25 -49.82 11.0 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.538 2.159 . . . . 0.0 111.667 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.09 -20.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.51 7.37 17.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.488 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.411 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -137.19 2.71 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 511' ' ' PRO . 27.3 t -59.0 -85.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 515' ' ' SER . 3.6 m -168.0 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.8 114.06 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -152.26 158.66 33.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.431 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.88 111.75 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.893 2.395 . . . . 0.0 112.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.18 -38.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.23 -39.55 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 55.3 p -84.0 -64.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.528 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.54 -24.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.8 mtt -54.33 -23.35 14.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.26 -66.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 55.0 p -51.88 -25.91 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -63.57 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.26 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -59.27 -54.39 47.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.47 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -53.22 -46.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.21 -49.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.1 13.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.5 -35.38 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.23 -50.22 5.9 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 30.4 p -82.1 -174.26 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 10.3 t -171.48 154.82 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 59.3 t-20 -167.07 134.54 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -57.85 -40.03 92.44 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.07 -35.73 5.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.0 -37.56 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -68.47 -47.17 67.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 40.8 p -51.61 -47.55 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 1.5 t -64.71 -50.9 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.189 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -28.48 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.8 tpt -72.13 -38.82 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.94 -36.68 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.462 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -68.14 -45.69 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.43 -32.22 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 553' ' ' ARG . 25.3 tp -74.02 -52.48 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.95 29.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.49 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.3 ttm180 -46.41 140.43 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.445 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.519 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -92.07 -26.44 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.587 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 558' ' ' LEU . . . 54.24 18.0 1.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.152 0.501 . . . . 0.0 109.739 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 554' ' ' THR . 0.8 OUTLIER -81.12 -18.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.644 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.526 ' OE1' ' CE3' ' A' ' 562' ' ' TRP . 48.0 mt-10 -54.02 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 558' ' ' LEU . 3.5 mm? 54.93 30.02 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 560' ' ' THR . 56.1 mttp -154.04 145.81 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.517 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 31.8 p 52.87 -158.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.06 155.87 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.526 ' CE3' ' OE1' ' A' ' 557' ' ' GLU . 13.7 p-90 -164.09 -41.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 38.8 t -47.15 -25.64 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -68.22 -43.03 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -62.09 -46.74 87.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.4 mp -57.85 -61.74 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -48.12 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 56.3 tp -45.88 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 43.7 tp -41.99 -21.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -81.91 -77.29 1.05 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.6 tt -46.14 -24.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -48.11 -27.29 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -109.17 132.11 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 16.7 mmt -84.99 10.47 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 84.1 57.25 2.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -63.43 -100.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.07 -101.39 0.14 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.74 -32.27 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 580' ' ' GLN . 0.4 OUTLIER -46.76 -57.43 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 584' ' ' VAL . 98.1 t -54.89 -49.81 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 581' ' ' VAL . 9.8 t70 -38.72 -44.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.87 -42.87 80.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 581' ' ' VAL . 46.6 t -52.76 -44.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.91 -44.86 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.22 -34.61 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 590' ' ' ALA . 17.2 m -67.49 -55.38 13.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 98.9 mt -43.86 -32.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 62.4 m -78.07 -32.04 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.19 -26.41 62.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 592' ' ' GLU . 7.5 mm -77.84 172.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 591' ' ' ILE . 93.3 mt-10 -46.65 -11.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 591' ' ' ILE . 37.5 t60 60.31 70.29 1.03 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.78 -153.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.919 2.413 . . . . 0.0 111.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 55.1 mtt -73.19 22.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 594' ' ' PRO . 12.1 t -74.31 -2.9 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.539 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.2 m -41.06 -37.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.89 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 90.9 mt -42.33 -30.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.23 -47.38 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.21 -58.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 602' ' ' LEU . 10.0 mp -49.98 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.6 t -49.96 -27.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.05 93.53 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 -70.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.8 120.61 26.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.27 -73.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -59.98 134.2 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.9 t -79.09 8.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.42 -139.74 37.96 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.0 p -73.66 143.95 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.785 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.88 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.74 130.37 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.58 149.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.669 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.413 ' O ' HD12 ' B' ' 67' ' ' LEU . 98.0 m-85 -104.84 149.41 25.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.681 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.76 107.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.42 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -85.72 137.8 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.451 ' C ' ' H ' ' B' ' 9' ' ' THR . 40.1 p -103.41 142.03 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 41.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.451 ' H ' ' C ' ' B' ' 7' ' ' THR . 77.0 p -139.67 -32.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.36 62.75 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -174.77 131.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -108.5 156.47 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.46 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 13' ' ' ILE . 4.6 mt -137.24 130.35 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -100.73 128.03 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.74 133.43 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.777 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -92.49 76.84 5.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.262 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.7 m -97.2 -163.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.6 mt-10 -138.32 177.5 2.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.099 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.3 Cg_exo -75.32 -42.22 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.749 2.3 . . . . 0.0 112.175 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -71.42 -11.9 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.767 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.06 136.38 57.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.429 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.7 p -89.08 140.87 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -41.2 -55.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -49.15 -35.68 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.534 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 16.7 t-20 -64.9 -44.01 90.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.131 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.9 -40.05 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.181 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.237 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.2 mttp -58.14 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.88 -44.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.403 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -56.19 -35.9 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -72.04 -27.99 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.04 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -94.52 -95.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.66 15.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.557 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 32.2 mt -81.32 112.67 35.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.26 137.91 13.71 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.598 2.199 . . . . 0.0 111.944 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.34 -56.43 2.94 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.728 2.286 . . . . 0.0 111.96 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.81 -30.82 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -100.91 61.63 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 59.3 mt-30 -153.27 92.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -88.43 110.72 21.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.453 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.53 121.69 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.694 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.448 HG22 ' HB1' ' A' ' 590' ' ' ALA . 8.7 mt -117.99 142.33 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.462 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.9 t80 -147.8 112.16 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 590' ' ' ALA . . . 42.05 -85.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.623 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -42.03 -86.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 47.1 tttt -157.04 -141.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 49.3 tt0 -88.71 136.95 32.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.253 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 50' ' ' LEU . 5.7 mt -85.67 126.03 33.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -78.96 160.18 27.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -78.06 115.86 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.585 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 141.49 -66.83 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.7 mmt85 -45.56 174.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 50.6 p -116.33 170.49 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.4 mt -70.6 -0.3 8.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.9 m -93.17 -40.64 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.578 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -53.07 -38.16 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -88.44 8.26 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 53.55 36.05 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.728 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.21 101.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.413 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.71 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.61 159.77 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 63.59 31.37 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.697 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -91.19 123.69 34.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -93.45 94.69 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.512 ' H ' HD12 ' B' ' 67' ' ' LEU . 2.2 mp -86.38 141.21 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -85.99 141.26 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -128.2 131.26 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -137.91 116.53 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.599 ' O ' HD12 ' B' ' 71' ' ' LEU . 0.3 OUTLIER -75.27 161.88 28.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttt-85 -62.11 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -173.62 111.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -79.06 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.95 -73.12 0.47 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.418 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -103.43 121.04 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.88 149.43 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.21 147.47 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -125.06 102.61 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -85.52 126.3 33.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -84.52 155.7 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.364 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -71.71 49.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 26.0 p -149.82 -44.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.42 -28.33 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' C' ' 34' ' ' GLU . 37.0 ttpt -68.27 155.58 39.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -138.38 143.39 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.25 143.5 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -109.56 116.96 32.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.369 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.17 134.06 55.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.773 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -91.74 113.26 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.29 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -135.32 -165.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.516 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 13.4 mp0 -142.9 148.43 45.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.258 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -43.85 14.03 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.887 2.391 . . . . 0.0 112.224 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -39.92 92.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 14.7 m-20 -40.64 146.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 3.9 p -98.1 146.25 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.597 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.93 -51.15 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -48.59 -44.32 36.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.192 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.0 -40.02 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.02 -46.67 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -54.41 -39.83 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.08 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.393 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -57.38 -41.1 79.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.304 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.14 -45.22 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.411 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.05 -35.35 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.59 -36.64 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -68.76 -60.89 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.465 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' C' ' 11' ' ' LYS . 67.2 mm-40 -90.52 -95.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.52 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.81 23.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.44 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 81.5 mt -90.99 106.21 14.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.697 0.284 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.63 137.26 11.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.776 2.317 . . . . 0.0 111.979 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.32 -44.95 19.57 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.729 2.286 . . . . 0.0 112.014 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.39 9.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.71 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.529 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.0 mt-30 -137.02 54.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -150.77 177.57 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' C' ' 49' ' ' GLN . 51.6 ttm-85 -171.3 104.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -86.72 119.04 26.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 44' ' ' ILE . 6.1 mt -118.82 136.19 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.53 134.15 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 44.21 13.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 53.11 49.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -159.53 121.45 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' C' ' 42' ' ' ARG . 25.9 tt0 -73.57 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.44 122.05 30.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -78.69 158.96 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.59 162.99 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.46 -64.5 2.55 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -41.76 150.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 110.634 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.524 ' C ' ' H ' ' C' ' 57' ' ' SER . 30.9 p -98.93 157.25 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' C' ' 17' ' ' VAL . 97.9 mt -61.26 2.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.524 ' H ' ' C ' ' C' ' 55' ' ' THR . 38.1 t -96.15 -37.73 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -55.79 -41.53 74.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -83.79 6.11 22.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m120 56.61 29.83 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.51 98.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -77.66 -157.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -83.67 159.91 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.23 32.25 20.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -91.59 126.44 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 15.2 m -91.33 118.16 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.21 125.51 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -78.61 101.66 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 131.5 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.631 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.7 t -137.13 172.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.631 ' H ' HG12 ' C' ' 70' ' ' VAL . 25.1 mt -114.04 166.99 11.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.425 ' HB3' ' HE ' ' C' ' 42' ' ' ARG . 36.4 ptt180 -145.74 169.3 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' C' ' 74' ' ' ARG . 43.0 tp -169.38 148.74 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 73' ' ' LEU . 31.5 mtt-85 -41.17 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.54 -136.67 2.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 22.7 p -51.77 -18.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -78.45 77.6 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.52 -26.13 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 28.5 t -50.7 -32.8 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 26.1 t -63.03 -41.19 99.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -71.97 -22.43 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.09 -69.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.2 mm -51.09 -36.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 20.9 tp -52.59 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.62 -50.2 54.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.7 tp -46.49 -47.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.556 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.73 91.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.1 mm -80.58 -2.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -81.12 -75.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -77.5 20.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -45.78 -67.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.3 73.68 0.59 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 24.0 m -137.43 -62.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 56.33 68.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.0 t-20 -105.37 -148.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.545 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 20.0 m-20 -114.54 -14.65 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -81.08 -44.66 17.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.229 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.5 t -45.76 -55.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.69 -26.61 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.66 -4.68 54.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.57 -41.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.828 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -44.56 -60.34 3.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.685 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.88 -49.12 11.48 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.62 2.213 . . . . 0.0 111.737 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 518' ' ' LEU . 61.8 mt -56.87 -19.49 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 26.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.03 -38.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.56 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 514' ' ' ALA . 65.2 m -31.57 -64.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.469 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 23.6 m -153.36 -79.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 518' ' ' LEU . 21.2 t70 -146.46 -55.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 517' ' ' ASP . 2.7 mt 51.48 173.97 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.96 156.93 43.21 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.804 2.336 . . . . 0.0 112.031 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 522' ' ' THR . 61.2 mt -74.03 -39.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -41.21 -27.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 520' ' ' ILE . 68.1 p -108.65 -57.49 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 549' ' ' ASN . . . -44.12 -41.58 5.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 525' ' ' MET . . . -64.81 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 524' ' ' ALA . 21.6 mmt -37.85 -47.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.19 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.3 p -57.47 -21.95 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 528' ' ' LEU . 0.9 OUTLIER -74.95 -37.59 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -75.09 -44.08 49.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.98 -64.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -49.86 -51.07 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -41.18 -56.61 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.2 t -67.56 -55.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.55 30.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.6 p -70.33 -26.51 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.69 -67.09 1.58 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.7 p -68.78 -171.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 31.2 t -172.27 155.88 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -161.28 127.01 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -45.04 -35.16 4.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -50.13 -46.06 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.19 -37.23 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.3 m -66.64 -55.46 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.422 HG21 HD21 ' B' ' 71' ' ' LEU . 58.5 p -46.17 -31.12 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -56.4 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.02 -21.91 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.1 tpt -77.63 -58.07 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -44.35 -37.4 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.576 HD22 ' HB1' ' A' ' 523' ' ' ALA . 51.4 t-20 -68.54 -53.59 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -48.73 -32.46 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.3 tp -69.71 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 516' ' ' THR . 19.9 mt-10 -44.42 -37.85 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 -58.14 130.47 46.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.519 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.34 -14.41 15.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 58.34 1.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.081 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.519 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -89.3 -30.37 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.449 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -43.36 -63.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 40.2 mt -112.72 168.99 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.93 67.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 72.7 p -148.35 70.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.2 t0 61.15 121.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 46.6 p90 -161.07 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.482 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 5.8 p -53.3 -12.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.523 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -68.5 -44.85 73.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -78.13 -53.19 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.7 mp -49.07 -45.17 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.43 72.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.07 -58.33 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.98 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.5 tp -40.53 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.523 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.77 -77.69 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.7 tt -54.32 -13.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -45.2 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -55.77 117.08 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 12.6 tpt -92.52 -57.03 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -87.3 111.94 3.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -47.46 167.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 159.94 179.9 35.04 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -73.83 -15.79 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.74 -52.67 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 582' ' ' ASP . 7.7 p -49.1 -42.7 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.534 ' N ' HG13 ' A' ' 581' ' ' VAL . 33.9 t0 -53.6 -41.94 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.519 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.61 -41.79 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.02 -45.59 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -63.01 -49.32 75.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.444 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -49.22 -33.28 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.336 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 9.2 m -69.66 -47.46 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.433 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.2 mt -46.68 -36.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.7 p -74.42 -33.48 62.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -59.14 -22.11 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.511 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 37.9 pt -119.19 -163.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.06 174.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -143.66 74.29 16.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.52 -152.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.97 2.447 . . . . 0.0 111.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 26.2 mtt -69.4 37.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 594' ' ' PRO . 9.9 t -94.35 -7.53 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.3 p -45.31 -40.35 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.96 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 66.7 mt -74.48 -51.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -45.81 -62.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.48 -53.19 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -45.02 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.68 -40.13 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.09 -31.82 56.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 606' ' ' CYS . 33.4 p -79.4 -58.49 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' CYS . . . . . 0.437 ' N ' ' OG ' ' A' ' 605' ' ' SER . 41.9 t -74.8 124.29 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.81 -155.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -77.65 -169.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 18.4 p -51.97 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -81.62 137.36 17.33 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 20.0 p -127.98 -76.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.613 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 118.005 -1.442 . . . . 0.0 110.92 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' B' ' 2' ' ' GLN . 7.9 pt20 -85.59 122.5 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -123.2 144.87 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -98.94 142.47 30.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.89 104.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -90.13 119.93 30.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.719 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 9' ' ' THR . 26.6 p -89.66 143.28 26.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 42.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.478 ' H ' ' C ' ' B' ' 7' ' ' THR . 52.6 p -135.63 -15.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 65.48 0.63 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -173.99 141.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -120.45 132.34 55.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.412 HD13 HG21 ' B' ' 13' ' ' ILE . 5.2 mt -119.28 133.76 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.776 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.02 122.38 46.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -125.27 139.87 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' OE2' ' B' ' 18' ' ' GLU . 4.4 tm-20 -91.06 113.68 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.409 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.8 m -133.91 -170.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.686 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 20' ' ' SER . 49.9 mm-40 -138.59 144.02 40.52 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.367 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -9.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.869 2.379 . . . . 0.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -105.01 12.69 31.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.724 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 18' ' ' GLU . 3.6 m-20 -87.6 137.43 32.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 55.5 p -84.63 138.21 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -44.88 -40.41 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.372 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.01 -41.74 88.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -62.51 -40.73 97.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.2 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.72 -49.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.28 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -53.4 -40.16 64.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.28 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.71 83.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -55.9 -38.94 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.4 -49.58 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.422 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -53.44 -30.97 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -75.81 -30.43 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -77.39 -61.67 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -91.04 -109.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.22 25.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 71.2 mt -97.65 99.94 7.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.594 0.235 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.9 Cg_endo -44.77 144.21 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.723 2.282 . . . . 0.0 112.018 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.32 -66.96 0.13 Allowed 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.792 2.328 . . . . 0.0 112.031 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.3 t70 -36.92 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 73' ' ' LEU . 15.1 mm100 -97.51 60.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.644 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 66.9 mt-30 -154.64 137.28 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -134.06 96.94 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.12 136.42 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.454 HG22 ' HB1' ' A' ' 590' ' ' ALA . 9.1 mt -136.72 144.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.369 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 60.4 t80 -135.1 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -35.55 -45.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.703 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.66 -90.02 0.06 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.42 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 43.1 tttt -154.11 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.31 . . . . 0.0 110.542 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 39.1 tt0 -86.04 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.55 129.94 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -88.41 159.73 17.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.21 162.92 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.66 -67.02 3.07 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.63 ' NE ' ' N ' ' B' ' 54' ' ' ARG . 4.2 mmp_? -43.14 169.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.663 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 67.4 p -113.13 171.55 7.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' B' ' 17' ' ' VAL . 73.4 mt -66.51 -28.97 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.45 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.8 t -66.05 -28.05 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' B' ' 59' ' ' TYR . 59.8 m-20 -77.56 30.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' O ' ' B' ' 58' ' ' ASP . 76.7 m-85 -158.48 4.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.8 m-20 59.57 24.69 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.11 98.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -80.24 -160.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -82.62 161.93 22.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 56.15 32.79 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.8 m -91.2 130.28 37.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -92.54 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.76 123.76 46.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -78.66 104.21 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.757 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -96.19 118.69 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.602 ' N ' HD23 ' B' ' 69' ' ' LEU . 4.3 t -119.65 114.82 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.788 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.7 pt? -85.57 141.19 30.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.602 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' NE ' ' OE1' ' B' ' 40' ' ' GLN . 6.6 ptm180 -90.42 71.07 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 17.5 mt 61.35 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.512 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -158.6 -171.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.83 79.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.812 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.903 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.5 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -92.86 123.35 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.62 142.37 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.405 ' O ' HD12 ' C' ' 67' ' ' LEU . 78.8 m-85 -96.39 136.25 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.94 105.17 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.408 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -83.82 133.06 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.7 p -83.11 -139.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.94 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 3.5 m -160.15 -14.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.45 64.7 0.24 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -173.39 148.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' C' ' 13' ' ' ILE . 94.7 m -135.76 161.45 35.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.544 ' N ' HG22 ' C' ' 12' ' ' THR . 3.2 mt -138.41 137.52 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.511 ' C ' HD22 ' C' ' 15' ' ' LEU . 3.7 m -106.19 102.66 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.74 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.4 mm? -97.12 133.92 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.0 103.46 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.4 m -129.44 -164.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.61 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 5.0 mt-10 -145.86 146.73 29.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.238 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.32 -13.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.866 2.377 . . . . 0.0 112.274 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.6 p -105.08 19.94 19.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.799 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -93.34 137.48 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.434 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.459 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.5 p -82.38 129.23 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' C' ' 22' ' ' THR . 35.4 mm -38.82 -51.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.449 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -49.82 -43.31 48.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' C' ' 22' ' ' THR . 16.5 t-20 -60.24 -41.81 93.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -48.42 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -53.26 -41.71 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.268 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' C' ' 32' ' ' ASP . . . -60.64 -46.42 90.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.301 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -56.9 -38.83 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.84 -42.08 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.51 -36.4 73.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' C' ' 28' ' ' ALA . 1.3 m-20 -70.61 -34.37 72.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -71.4 -58.93 3.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -93.03 -95.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.9 17.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 27.7 mt -90.14 105.91 12.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -45.77 144.3 5.69 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.649 2.233 . . . . 0.0 111.956 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.58 -62.78 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.85 2.367 . . . . 0.0 111.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -44.9 -29.79 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -97.19 55.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.4 mt-30 -149.13 165.45 31.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.469 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 52.2 ttt180 -162.73 103.72 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -92.55 117.39 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.9 mt -116.59 128.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.576 ' O ' ' HB3' ' C' ' 46' ' ' ALA . 70.8 t80 -128.98 126.04 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' C' ' 45' ' ' PHE . . . 73.28 -9.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' C' ' 45' ' ' PHE . . . 121.54 -14.45 9.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -98.94 143.67 28.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -81.15 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.75 111.63 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 154.79 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -77.11 172.3 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.24 -61.97 2.22 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -46.63 168.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.435 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 28.2 p -108.53 173.44 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.67 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' C' ' 17' ' ' VAL . 34.0 mt -68.91 -22.16 64.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.694 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.435 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 19.1 p -69.54 -27.28 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.644 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -76.42 15.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' C' ' 57' ' ' SER . 94.8 m-85 -143.07 4.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 54.26 46.87 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.11 110.27 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.4 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -88.57 -171.44 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.779 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.15 160.38 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 59.27 28.71 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.726 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -85.38 127.75 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -92.94 104.01 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.405 HD12 ' O ' ' C' ' 4' ' ' PHE . 4.9 mp -87.52 172.69 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.467 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -122.76 99.3 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -85.15 130.62 34.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.36 159.66 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.576 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.7 mm? -84.09 125.23 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.07 148.0 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 59.2 tp -170.56 88.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.95 156.86 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.59 -144.58 6.92 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 46.3 p -78.12 116.0 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 51.63 57.13 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.0 -26.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 17.0 t -57.0 -43.03 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 488' ' ' ALA . 53.3 p -57.6 -61.7 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' A' ' 487' ' ' SER . . . -41.25 -37.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -59.04 -58.86 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.4 mm -42.58 -47.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 491' ' ' LEU . 9.9 mp -59.17 -42.84 91.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.84 -48.75 84.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.8 mp -58.08 -36.95 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -44.09 93.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 28.4 pt -87.29 1.58 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.722 0.296 . . . . 0.0 110.619 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -84.01 -59.44 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 51.9 p90 -89.54 20.47 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -38.66 -67.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 80.11 0.26 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.0 m -138.26 -67.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 62.49 64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -91.96 -94.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -177.61 -30.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 505' ' ' VAL . 19.9 tp10 -81.09 -38.95 26.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 504' ' ' GLU . 4.3 t -38.93 -49.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.279 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 511' ' ' PRO . 7.7 mt -82.55 -30.7 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.378 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -55.35 -9.34 2.17 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.8 tp -120.76 -43.38 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.318 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.418 HD13 HD21 ' A' ' 530' ' ' LEU . 74.2 mt -66.21 -63.15 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.792 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.9 mt -38.4 -64.78 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.55 -53.56 5.4 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.749 2.299 . . . . 0.0 111.744 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.5 mt -51.38 -17.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -128.12 11.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -154.95 16.61 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.8 m -63.04 -57.13 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 552' ' ' GLU . 3.2 m -168.25 -53.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -168.51 68.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.43 149.87 40.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 124.05 5.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.757 2.304 . . . . 0.0 111.986 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.5 -13.96 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.16 -46.48 89.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 69.0 p -87.97 -49.42 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.52 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -51.17 -46.4 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.8 mtt -59.87 -71.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -43.1 -47.48 6.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.7 t -47.16 -45.06 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.53 -31.42 69.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -53.37 -53.55 49.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.6 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 509' ' ' LEU . 42.1 mt -63.95 -51.26 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 535' ' ' VAL . . . -42.46 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -56.48 -50.17 72.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.555 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.8 t -69.75 -68.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.98 17.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.6 p -46.33 -47.95 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.613 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -78.69 -73.95 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.5 m -62.84 115.66 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.8 m -104.12 170.39 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.443 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -163.16 167.87 21.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 544' ' ' THR . . . -78.28 -47.31 8.33 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -44.5 -41.68 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.9 -59.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.6 m -59.46 -59.19 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 540' ' ' GLY . 78.6 p -40.74 -55.21 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.401 ' CB ' HD22 ' A' ' 510' ' ' LEU . 4.2 m -60.17 -55.72 30.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.347 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -29.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.221 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -77.62 -43.45 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -45.95 -47.88 16.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.322 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -69.05 -40.91 78.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.297 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.517 ' CE2' HD21 ' A' ' 566' ' ' LEU . 15.6 t80 -59.53 -29.38 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.438 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' A' ' 553' ' ' ARG . 16.9 tp -72.46 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 516' ' ' THR . 31.1 mt-10 -71.35 22.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.5 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' A' ' 551' ' ' LEU . 34.7 ttp180 -70.52 80.7 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.567 ' C ' ' H ' ' A' ' 556' ' ' ILE . 78.7 p -80.27 133.95 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -56.05 -4.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.245 0.545 . . . . 0.0 109.728 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -59.9 -33.7 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.48 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -90.13 0.29 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.515 HD13 ' N ' ' A' ' 559' ' ' LYS . 0.2 OUTLIER -65.11 109.85 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.525 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.515 ' N ' HD13 ' A' ' 558' ' ' LEU . 46.7 tttm -157.23 -70.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 72.2 p -92.73 169.63 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -44.45 157.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 54.0 p-90 -168.47 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.588 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.8 p -44.32 -19.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 562' ' ' TRP . 29.5 ttm-85 -80.58 -71.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.72 -47.26 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.517 HD21 ' CE2' ' A' ' 550' ' ' PHE . 56.4 tp -56.4 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.33 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.7 -53.4 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -50.37 -58.19 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.07 -3.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -93.51 -67.25 1.07 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.16 -39.5 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.2 tp -42.43 -68.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.23 107.32 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.47 -7.53 14.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 58.75 102.62 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -163.27 17.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -173.79 173.89 46.01 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -65.93 -1.39 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.55 -55.4 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 582' ' ' ASP . 5.8 p -52.05 -38.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 581' ' ' VAL . 7.1 t70 -52.92 -46.56 68.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.93 -49.43 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 51.3 t -42.15 -48.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.86 -40.43 92.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.426 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -55.49 -40.96 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.308 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 590' ' ' ALA . 9.4 m -62.81 -48.45 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 79.7 mt -46.27 -39.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.26 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.5 t -67.32 -34.2 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.268 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.48 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -56.8 -32.51 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 51.5 mt -103.36 75.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 54.72 -158.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 0.0 OUTLIER -175.49 46.17 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.634 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.7 Cg_endo -44.26 -102.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.939 2.426 . . . . 0.0 111.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 597' ' ' SER . 0.6 OUTLIER -107.73 3.71 24.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.712 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 598' ' ' ALA . 9.8 t -48.48 -10.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 595' ' ' MET . 69.5 m -44.01 -19.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -74.2 -48.83 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.38 -30.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -65.92 -35.79 81.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.79 -47.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.08 -71.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.574 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.83 -38.85 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.74 -38.31 53.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.6 m -70.13 -46.19 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.0 110.6 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.08 119.61 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -179.93 -174.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.537 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 34.8 p90 -79.93 111.13 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 6.4 p -94.95 31.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 72.69 155.99 3.07 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 134.88 22.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.974 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -98.79 100.87 12.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.481 HG12 HG22 ' B' ' 17' ' ' VAL . 9.6 pt -94.84 149.75 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.42 137.19 41.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -119.75 107.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.385 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -93.85 118.38 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 9' ' ' THR . 62.3 p -87.07 142.88 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.484 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.31 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -135.73 -31.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.24 66.72 0.17 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -173.31 139.35 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -124.66 111.34 15.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.47 152.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.56 ' C ' HD22 ' B' ' 15' ' ' LEU . 4.1 m -117.15 103.69 10.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.391 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.744 HD22 ' N ' ' B' ' 15' ' ' LEU . 3.3 mm? -100.01 130.15 46.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.77 92.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.481 HG22 HG12 ' B' ' 3' ' ' ILE . 9.4 m -115.84 171.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.684 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 81.3 mm-40 -122.38 147.67 50.51 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.291 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.07 -25.79 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.968 2.445 . . . . 0.0 112.628 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -95.76 14.18 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.027 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.684 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 34.8 m-20 -82.03 133.62 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -82.24 140.55 33.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -44.14 -53.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -50.52 -34.83 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.234 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.05 -49.25 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.231 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -53.4 -39.3 64.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.324 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.78 81.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.479 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -57.16 -36.7 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -67.65 -47.48 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.39 -40.08 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.27 -37.13 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -68.24 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -84.3 -86.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.09 -0.75 0.05 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 56.3 mt -72.04 132.38 84.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 0.0 110.456 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.54 143.31 34.16 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.717 2.278 . . . . 0.0 111.911 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -64.62 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.865 2.376 . . . . 0.0 112.0 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 5.3 m-20 -38.03 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 38' ' ' PRO . 13.7 mm100 -104.69 53.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -149.21 138.58 21.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.65 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -138.5 97.05 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 12.6 mt -87.43 134.09 33.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.48 HG22 ' HB1' ' A' ' 590' ' ' ALA . 5.0 mt -130.45 144.83 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.1 t80 -131.85 179.64 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.1 -35.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -78.17 -87.65 0.43 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.433 ' C ' HG23 ' B' ' 44' ' ' ILE . 37.5 tttt -157.15 -145.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 6.6 tp-100 -80.33 137.69 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.421 HD23 ' N ' ' B' ' 50' ' ' LEU . 7.3 mt -89.68 123.86 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.19 159.43 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 121.37 23.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 133.33 -70.2 0.52 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.3 mmt180 -44.42 170.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.554 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -113.45 173.07 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.583 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' B' ' 17' ' ' VAL . 42.4 mt -73.32 3.1 6.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.655 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -93.76 -27.73 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.9 -39.03 72.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.616 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -85.16 8.75 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m120 54.79 40.12 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 mt -86.44 113.35 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.44 -158.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -86.43 159.33 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 57.69 22.27 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -77.08 133.29 39.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -88.29 112.36 22.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.69 122.55 45.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -76.3 103.26 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.12 111.27 22.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.36 137.52 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mt -85.56 165.52 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -109.5 73.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.47 174.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -45.48 119.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.28 -41.41 9.3 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.956 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -112.46 104.16 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.473 HD12 HD22 ' C' ' 67' ' ' LEU . 21.0 pt -96.92 151.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.757 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.15 152.64 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.51 100.0 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.251 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.19 125.12 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.43 ' C ' ' H ' ' C' ' 9' ' ' THR . 82.1 p -85.43 155.67 21.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 43.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.43 ' H ' ' C ' ' C' ' 7' ' ' THR . 1.3 m -150.24 -32.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.62 -54.55 0.54 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -40.16 140.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -132.86 116.23 16.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.67 165.77 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.671 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.507 ' C ' HD12 ' C' ' 15' ' ' LEU . 6.6 m -133.35 106.24 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.326 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.529 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.7 mp -107.19 136.69 46.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.98 105.09 17.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.272 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -127.3 170.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.583 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.2 mm-40 -119.43 177.23 1.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.097 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.57 -25.28 12.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.69 2.26 . . . . 0.0 112.051 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -92.38 4.81 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 17.2 m-20 -74.95 137.34 41.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -87.18 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.24 -52.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.435 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -47.94 -40.44 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.265 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -62.48 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.05 -48.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.308 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.25 83.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -56.12 -41.79 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.317 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.37 -42.13 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.489 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.54 -33.01 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.49 -32.13 62.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -75.52 -64.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.76 -95.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.559 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 164.07 17.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 43.0 mt -85.69 110.8 32.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.591 0.234 . . . . 0.0 110.464 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.84 137.9 12.23 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.601 2.201 . . . . 0.0 111.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.29 -57.35 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.762 2.308 . . . . 0.0 112.074 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . 0.457 ' O ' ' CZ ' ' C' ' 72' ' ' ARG . 13.8 t70 -46.08 -38.87 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -78.7 -35.81 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 90.7 mt-30 -57.31 150.64 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -150.27 104.85 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.19 115.21 24.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.45 HD12 HG21 ' C' ' 70' ' ' VAL . 7.0 mt -117.07 126.54 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -143.75 145.22 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 38.35 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.2 51.51 58.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -168.42 132.71 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -77.89 138.0 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.73 119.98 26.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.58 158.18 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 161.59 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.606 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.19 -66.37 3.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.7 mmt180 -40.95 164.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.424 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.6 p -114.8 160.18 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.44 -1.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.424 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.84 -15.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -81.9 -30.56 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.61 6.49 48.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ASN . . . . . 0.535 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 6.8 m120 61.87 14.12 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.77 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -57.62 115.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 17.0 mp0 -87.74 -161.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.672 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -86.42 159.35 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.735 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 56.28 24.35 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -78.93 135.55 36.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.499 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' THR . . . . . 0.444 ' C ' HD12 ' C' ' 67' ' ' LEU . 3.9 m -83.46 126.52 32.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' LEU . . . . . 0.473 HD22 HD12 ' C' ' 3' ' ' ILE . 8.5 mp -112.49 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -72.51 100.61 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.04 126.44 33.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.545 HG12 ' H ' ' C' ' 71' ' ' LEU . 0.8 OUTLIER -138.73 176.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.482 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.545 ' H ' HG12 ' C' ' 70' ' ' VAL . 15.5 mt -94.94 163.83 13.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.611 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ARG . . . . . 0.457 ' CZ ' ' O ' ' C' ' 39' ' ' ASP . 45.0 ttp85 -129.03 156.03 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -173.89 119.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -54.7 176.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.81 179.5 38.76 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.1 p -119.97 32.51 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -51.43 142.0 14.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.566 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.6 pt -48.75 -28.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 46.3 m -46.15 -46.47 17.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.3 t -57.1 -53.34 59.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.72 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.95 -70.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 25.0 mm -53.44 -36.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.39 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.59 -39.79 4.72 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 4.6 mp -62.12 -38.84 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.53 -48.02 88.26 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.54 -9.61 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.51 -48.35 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 1.2 m-85 -66.35 6.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -78.57 11.57 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -64.86 -96.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 34.3 t -158.28 75.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mttp 42.64 79.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -94.1 131.75 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -6.05 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -81.45 -37.61 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.01 -60.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.078 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.3 -22.86 66.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.8 -34.1 76.13 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.8 tp -113.03 -38.73 4.41 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 3.8 mm? -66.95 -60.5 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.902 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.647 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 0.3 OUTLIER -40.51 -60.41 1.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.61 -57.21 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.299 1.999 . . . . 0.0 111.609 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 512' ' ' ILE . 67.5 mt -53.47 -11.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -106.36 -8.82 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.476 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -167.62 43.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.539 174.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 511' ' ' PRO . 6.2 p -69.65 -56.98 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.136 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.7 OUTLIER -172.73 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -171.4 90.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -120.76 149.95 51.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.66 121.22 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.817 2.345 . . . . 0.0 111.937 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.7 pt -64.72 4.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 519' ' ' PRO . 45.2 mt-10 -74.84 -61.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 p -82.29 -45.07 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.65 -38.1 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.72 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 19.9 mtt -59.01 -49.56 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -48.5 -56.89 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.544 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.7 t -51.12 -53.7 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 13.9 tp -49.58 -38.09 30.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -57.18 -46.48 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -72.96 -65.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.54 -31.32 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 535' ' ' VAL . 81.0 t -75.11 -69.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -74.3 20.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -51.55 -31.33 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.28 -96.68 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 5.7 t -58.2 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.477 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.0 p -152.51 170.37 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -158.23 145.38 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.95 50.45 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.72 -46.17 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.05 -36.94 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.3 m -66.27 -53.91 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.9 p -56.63 -27.56 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 0.9 OUTLIER -79.26 -59.42 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.293 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -29.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.4 mmt -74.56 -55.46 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -39.42 -41.02 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -69.69 -52.54 24.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.655 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.74 -29.27 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.9 mp -75.87 -53.99 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -48.54 -11.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 551' ' ' LEU . 24.5 ttp180 -59.46 105.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 556' ' ' ILE . 16.2 p -95.44 1.86 54.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.66 13.8 0.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.45 . . . . 0.0 109.907 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -74.26 -27.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.71 -179.632 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -63.12 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 13.0 mt 60.66 84.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.509 ' NZ ' ' CB ' ' A' ' 559' ' ' LYS . 9.2 mtmp? -152.0 -93.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 12.6 m -78.37 156.45 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.506 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 560' ' ' THR . 2.1 p-90 -148.2 -12.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 60.1 t -46.38 -21.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.582 ' NE ' ' CZ ' ' A' ' 565' ' ' PHE . 18.1 ptt180 -71.76 -47.31 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CZ ' ' NE ' ' A' ' 564' ' ' ARG . 29.6 m-85 -58.89 -36.58 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.485 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -69.86 -28.03 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.86 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.8 mp -47.87 -31.98 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.612 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -76.32 -84.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.4 tp -48.21 -17.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.65 -77.84 0.75 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.43 -5.71 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 16.9 tp -40.96 -63.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -69.6 -166.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.0 ttt -150.62 -78.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -72.33 124.28 9.8 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -78.28 125.82 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -164.39 -157.91 9.84 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.94 -9.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 578' ' ' GLY . 35.5 mt-30 -63.72 -66.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.9 t -46.62 -34.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.26 -73.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.93 -46.64 52.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 580' ' ' GLN . 56.3 t -43.29 -66.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 92.1 mt -47.88 -47.69 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.75 -43.78 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.0 m -56.34 -51.15 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.6 -39.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.345 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.0 t -63.11 -39.5 94.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.79 -30.2 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.388 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.849 HG22 ' H ' ' A' ' 592' ' ' GLU . 16.5 mm -80.06 179.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.849 ' H ' HG22 ' A' ' 591' ' ' ILE . 69.7 mt-10 -56.91 -144.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -141.52 73.42 24.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.53 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.058 2.506 . . . . 0.0 112.008 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 34.3 mtt -89.98 16.55 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.6 p -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 47.8 t -43.29 -45.8 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.03 -59.31 5.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.98 -43.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -53.92 -38.78 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.68 -57.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.81 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.7 t -49.61 -33.95 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.16 87.59 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 27.4 p -64.57 -46.96 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.786 0.327 . . . . 0.0 110.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.8 t -80.67 129.69 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.44 -170.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -78.21 8.93 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 7.2 t -161.67 162.93 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -161.41 89.01 0.11 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.9 p -69.81 97.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 110.619 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 118.018 -1.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.65 120.64 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.3 148.96 33.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.67 151.6 24.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.97 104.83 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -87.22 128.16 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.646 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 9' ' ' THR . 13.7 p -102.38 144.04 31.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.494 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 40.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.435 ' H ' ' C ' ' B' ' 7' ' ' THR . 62.3 p -140.38 0.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.64 71.73 1.14 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -174.42 152.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.335 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -143.18 97.57 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 153.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.424 ' C ' HD12 ' B' ' 15' ' ' LEU . 8.5 m -129.09 100.37 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.612 ' N ' HD12 ' B' ' 15' ' ' LEU . 9.6 mp -98.83 168.65 9.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -122.58 76.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.185 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.4 m -98.16 -162.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.961 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.435 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.2 mt-10 -142.33 177.02 2.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.013 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.09 12.08 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.13 14.68 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.78 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.86 140.08 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.537 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 p -86.93 137.49 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.1 mm -44.15 -51.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.331 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -47.71 -43.89 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.28 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.41 -41.23 93.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.209 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.59 -51.17 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.184 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.18 -44.15 61.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.229 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.26 79.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -54.42 -47.9 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -56.66 -47.05 82.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -55.21 -30.45 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.25 -43.85 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.19 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.442 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.09 -102.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 174.53 7.46 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 39.6 mt -69.26 134.83 89.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.17 135.1 22.24 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.561 2.174 . . . . 0.0 111.876 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.97 -39.91 19.99 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.652 2.235 . . . . 0.0 112.021 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.01 7.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' B' ' 38' ' ' PRO . 51.3 mt-30 -145.66 63.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -149.08 95.1 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 72' ' ' ARG . 7.0 mtp180 -88.3 103.89 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.18 125.43 39.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mt -125.17 147.06 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 68.8 t80 -136.29 173.44 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.627 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -37.14 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.74 -87.25 0.83 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -155.85 -137.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -85.01 134.62 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.79 111.16 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.664 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.78 159.24 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.57 165.66 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.61 -63.24 4.44 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 53' ' ' GLY . 33.3 mmt-85 -45.09 173.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -117.1 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.535 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.5 mt -71.46 -12.23 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.596 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.6 p -83.23 -18.13 40.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -84.12 12.53 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -138.67 8.29 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 55.53 34.14 22.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.678 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -81.43 95.97 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.02 -157.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.652 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -84.49 161.72 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.706 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 56.69 37.97 29.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -95.36 133.72 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.55 95.36 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.59 122.76 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -75.71 143.59 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.226 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 tp -137.3 121.88 18.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.4 132.87 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.622 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.4 mp -84.67 158.52 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 42' ' ' ARG . 19.5 mmt180 -103.67 61.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.532 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.6 mp 56.35 78.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -51.11 -177.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.0 -139.55 6.04 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 117.987 -1.451 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -108.23 112.79 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -103.5 149.17 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -102.29 134.64 45.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -120.14 104.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -86.03 138.58 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.46 ' O ' ' N ' ' C' ' 9' ' ' THR . 71.7 p -109.45 142.25 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.467 ' O ' HG23 ' C' ' 9' ' ' THR . 10.8 mt -69.01 59.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.467 HG23 ' O ' ' C' ' 8' ' ' LEU . 49.7 p -162.23 -5.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 65.55 1.4 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -172.43 125.45 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 14.1 m -108.01 151.45 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' C' ' 13' ' ' ILE . 1.1 mt -132.64 122.1 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -89.75 118.88 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.1 mt -115.57 130.28 56.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.788 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.14 94.83 8.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.34 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -121.38 -179.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.781 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 10.4 mt-10 -123.48 170.59 8.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.217 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' C' ' 57' ' ' SER . 3.4 Cg_exo -74.54 -2.0 11.83 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.797 2.331 . . . . 0.0 112.156 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -113.92 -4.57 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 30.2 m-20 -64.05 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.539 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -84.95 142.62 29.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.586 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -46.0 -52.86 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.78 -43.01 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 7.1 t-20 -59.92 -45.98 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.318 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.14 -50.24 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.224 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -52.74 -35.03 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.157 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.25 -45.42 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -59.43 -37.62 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.71 -36.79 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' C' ' 32' ' ' ASP . 2.7 m-20 -73.35 -29.77 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.4 -57.58 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -93.78 -93.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.44 22.91 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.43 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 67.0 mt -93.01 104.37 11.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.591 0.234 . . . . 0.0 110.514 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.37 138.71 9.98 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.608 2.205 . . . . 0.0 111.926 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.528 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.15 -41.12 21.72 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.79 2.327 . . . . 0.0 111.939 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.24 23.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' C' ' 38' ' ' PRO . 70.6 mt-30 -153.25 50.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.8 mt-30 -148.19 176.21 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -171.38 104.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.91 123.0 32.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.418 HD12 HG21 ' C' ' 70' ' ' VAL . 3.8 mt -120.52 125.09 73.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.1 t80 -99.28 -114.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -80.16 57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.64 84.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -123.4 132.82 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.91 142.63 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.28 123.33 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.605 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -83.44 157.95 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.6 120.29 21.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 127.66 -67.54 0.55 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 12.6 mmt180 -42.26 167.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -108.47 171.69 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.604 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' C' ' 17' ' ' VAL . 90.9 mt -70.33 -12.1 61.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' C' ' 19' ' ' PRO . 1.4 t -83.78 -27.63 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.22 -39.61 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.41 10.51 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.95 30.22 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -80.39 101.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -80.71 -159.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -81.97 161.21 23.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.68 30.15 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -82.89 132.92 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -86.54 140.26 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.35 172.27 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -128.46 137.48 51.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' LEU . . . . . 0.719 HD23 ' N ' ' C' ' 70' ' ' VAL . 5.5 tt -107.34 121.2 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.719 ' N ' HD23 ' C' ' 69' ' ' LEU . 2.3 t -132.75 157.55 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.25 102.68 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -72.12 159.61 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.495 HD23 ' N ' ' C' ' 74' ' ' ARG . 2.1 tt -171.66 111.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ARG . . . . . 0.495 ' N ' HD23 ' C' ' 73' ' ' LEU . 51.9 ttp180 -59.95 145.8 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.76 149.96 6.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.4 t -79.31 0.89 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 486' ' ' SER . 52.0 mtpt -63.49 163.2 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.9 tt -47.05 -19.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 52.7 m -45.85 -43.56 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 40.6 t -64.13 -61.01 2.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.72 -22.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -73.55 -71.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 14.0 mm -44.41 -56.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 491' ' ' LEU . 40.0 mt -46.59 -51.31 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.69 -58.39 6.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -49.26 -39.81 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.69 91.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.2 mm -83.74 -12.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.67 -77.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 498' ' ' ALA . 5.5 p90 -85.68 29.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.675 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -39.88 -42.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.439 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -108.91 -177.98 21.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 500' ' ' SER . 8.1 p 64.87 100.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.551 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -71.01 52.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 504' ' ' GLU . 56.5 t-20 -59.0 125.27 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.61 8.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.695 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.0 tp10 -90.66 -48.61 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.094 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.38 -35.76 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.2 mp -93.61 -24.17 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.471 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.53 34.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.22 -45.99 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 509' ' ' LEU . 7.9 mp -67.69 -54.11 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.932 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.2 tp -48.96 -58.75 7.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.747 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.14 -49.06 13.42 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.44 2.093 . . . . 0.0 111.634 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.56 -20.97 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.272 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -110.44 20.02 18.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -162.14 20.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.48 ' O ' ' OG1' ' A' ' 516' ' ' THR . 38.6 t -71.66 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.309 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 0.2 OUTLIER -172.23 67.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 516' ' ' THR . 3.0 t70 80.83 109.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.4 OUTLIER -162.13 155.7 17.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.319 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.29 107.49 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.827 2.351 . . . . 0.0 111.945 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' A' ' 557' ' ' GLU . 19.8 pt -74.56 19.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 519' ' ' PRO . 7.9 mp0 -78.8 -30.86 45.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 33.9 p -103.88 -26.1 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.83 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.6 mmt -49.68 -46.99 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.32 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -53.86 -35.05 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.82 -45.3 61.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.22 -45.44 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 532' ' ' HIS . 91.8 mt -69.22 -68.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.615 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.96 -23.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 530' ' ' LEU . 23.8 t60 -72.93 -55.2 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.4 t -70.52 -29.56 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.633 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -101.9 11.32 38.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -44.84 -31.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.82 -84.77 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.6 t -74.68 -173.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.409 ' N ' ' OG1' ' A' ' 537' ' ' THR . 17.8 p -168.79 177.64 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -158.25 172.1 18.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.87 -45.7 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.06 -47.41 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 67.4 mt -49.53 -42.78 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 57.6 m -66.75 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.4 p -39.33 -37.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.415 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 18.2 m -74.05 -53.32 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -29.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 75.4 mmm -71.6 -48.86 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -47.52 -41.83 21.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.406 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -68.1 -41.76 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.79 -19.34 63.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 553' ' ' ARG . 43.2 tp -87.49 -52.61 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.72 30.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 551' ' ' LEU . 11.4 ptp180 -65.29 132.26 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.513 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.589 ' C ' ' H ' ' A' ' 556' ' ' ILE . 31.4 p -100.43 141.99 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.446 ' HB1' HD11 ' A' ' 558' ' ' LEU . . . -70.6 29.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.135 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.589 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.77 -20.13 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.629 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 520' ' ' ILE . 6.2 mm-40 -73.22 -94.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.654 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.446 HD11 ' HB1' ' A' ' 555' ' ' ALA . 3.7 mt 48.64 26.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -167.3 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.6 m -45.77 144.72 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.76 152.56 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.58 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 6.2 p-90 -159.77 -62.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.58 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 13.9 p -50.28 -12.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 562' ' ' TRP . 47.8 ttp180 -79.06 -44.27 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -79.61 -40.18 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.9 mp -60.87 -55.8 28.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.35 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.648 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.95 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -52.09 -60.6 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.5 tp -45.56 -20.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -82.15 -76.63 1.09 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 574' ' ' TYR . 11.5 mm -44.72 -29.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 44.7 tp -43.69 -21.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 572' ' ' ILE . 38.0 m-85 -118.83 157.36 27.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER -171.46 11.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.565 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -156.05 167.69 33.35 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 53.2 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.619 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.69 86.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 579' ' ' GLU . 20.6 mp0 -83.28 -45.31 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -60.36 -56.78 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 582' ' ' ASP . 9.5 p -48.39 -38.83 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 581' ' ' VAL . 13.7 t70 -56.87 -51.28 69.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.28 -37.37 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 17.6 t -58.75 -44.37 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.8 -43.58 81.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.73 -32.12 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 590' ' ' ALA . 22.6 m -70.76 -56.6 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -43.76 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.309 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.9 t -81.89 -32.35 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.317 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -55.81 -27.98 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 68.6 mt -85.11 91.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 43.44 -124.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -170.87 71.84 0.54 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.85 -160.92 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 597' ' ' SER . 8.4 ptp -90.56 14.33 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.4 t -57.28 -3.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 595' ' ' MET . 73.1 m -42.81 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.476 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -71.75 -51.66 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.1 mt -63.32 -39.85 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -54.8 -54.28 44.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 597' ' ' SER . 92.1 t -56.62 -56.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.0 tp -43.24 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.68 -16.77 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.5 -60.32 5.53 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 35.0 t -58.95 -60.97 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 30.6 m -82.18 122.0 27.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.41 -72.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -72.77 -82.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 25.0 p -44.05 121.44 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -79.19 -177.84 50.34 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 612' ' ' GLY . 81.2 p -78.62 -84.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLY . . . . . 0.461 ' N ' ' OG1' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.221 -0.67 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -80.22 114.42 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.23 150.9 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -108.06 144.91 34.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.619 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -127.45 104.2 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.421 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -85.27 118.99 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 9' ' ' THR . 72.9 p -88.02 141.91 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 44.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 7' ' ' THR . 82.0 p -141.76 -18.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.43 65.71 0.52 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -175.17 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -107.61 114.93 29.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.97 145.1 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -117.52 119.62 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.03 138.13 53.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -90.18 114.9 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.334 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' B' ' 56' ' ' LEU . 14.2 m -131.4 -171.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.473 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.6 mt-10 -133.79 144.58 52.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -19.57 0.67 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.934 2.423 . . . . 0.0 112.341 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -98.3 12.76 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.645 0.26 . . . . 0.0 111.093 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.6 m-20 -84.58 135.37 34.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.1 p -81.55 145.23 30.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.718 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.9 mm -51.89 -41.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 14.5 pt-20 -55.93 -42.12 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.105 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.5 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.19 -53.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -49.79 -42.22 46.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.145 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -59.69 -45.99 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -56.37 -49.35 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.28 -47.55 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -55.14 -29.39 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.374 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 28' ' ' ALA . 3.7 m-20 -72.41 -42.45 65.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -69.65 -64.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -84.34 -104.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.68 9.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 42.1 mt -70.51 128.67 90.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.526 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.06 137.1 25.87 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.535 2.157 . . . . 0.0 111.898 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -42.05 23.43 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.785 2.323 . . . . 0.0 111.929 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.24 8.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' B' ' 38' ' ' PRO . 10.0 mt-30 -144.01 62.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -150.54 132.19 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -129.03 96.95 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.81 127.87 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.48 143.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.435 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.651 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 76.2 t80 -133.12 178.07 7.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.651 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.96 -32.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -82.48 -89.12 0.68 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 tttt -153.24 -143.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -84.7 138.09 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -89.94 133.76 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.5 mp0 -94.74 157.16 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.97 168.56 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 80.53 -71.96 2.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.5 mmt180 -39.98 164.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 73.6 p -111.33 -179.76 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' B' ' 17' ' ' VAL . 56.1 mt -77.35 -3.38 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.423 ' C ' ' H ' ' B' ' 59' ' ' TYR . 13.9 t -87.18 -29.57 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -76.88 20.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.7 m-85 -145.71 6.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 54.63 38.56 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -83.07 98.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -79.8 -163.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -82.17 160.49 23.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.38 169.74 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.332 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -133.33 90.33 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.471 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.72 124.09 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -83.74 105.13 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.4 tp -91.13 130.1 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.673 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.21 133.53 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.37 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.0 mp -89.38 155.91 19.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -104.73 70.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.415 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 15.5 mt 62.12 79.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -42.37 124.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.02 -161.43 13.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.832 0.348 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -88.98 116.83 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -117.21 151.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -109.54 142.85 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.65 100.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -83.78 122.03 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -81.55 142.25 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.379 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -71.79 58.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -161.85 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.9 70.61 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -171.82 157.46 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -143.99 107.12 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.01 136.6 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -106.17 123.1 47.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.346 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.52 134.92 48.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -87.19 118.61 26.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.416 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' C' ' 56' ' ' LEU . 3.8 m -138.44 -166.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 39.1 mt-10 -145.45 152.49 49.9 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 -48.57 10.86 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.068 2.512 . . . . 0.0 112.321 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.403 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.8 OUTLIER -57.91 -40.05 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.865 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 5.1 m-20 -39.66 139.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 6.7 p -94.59 145.23 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 mm -46.49 -52.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.288 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -46.81 -44.04 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 10.7 t-20 -58.92 -45.78 89.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.069 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.31 -48.49 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.036 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -53.38 -35.65 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.055 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.76 -44.62 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.02 -39.8 87.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.92 -35.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -64.83 -35.43 81.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -73.67 -28.54 61.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -79.1 -63.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -85.19 -96.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.44 23.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 45.1 mt -97.21 99.43 6.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.694 0.283 . . . . 0.0 110.541 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.22 144.73 4.03 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.645 2.23 . . . . 0.0 111.918 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.55 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.9 Cg_endo -45.7 -46.14 15.53 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.779 2.32 . . . . 0.0 111.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -70.52 29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.9 mt-30 -156.0 45.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.7 mt-30 -143.32 173.98 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.494 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 23.1 ttm180 -166.06 93.24 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.84 115.24 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.467 HD12 HG21 ' C' ' 70' ' ' VAL . 6.5 mt -112.21 136.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -143.49 129.0 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.64 28.01 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.63 53.56 8.33 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -165.42 133.49 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -79.67 130.26 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -82.82 129.8 35.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 4.1 mp0 -81.34 158.63 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 171.68 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.42 -57.7 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 36.6 mmt-85 -44.08 146.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.626 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.8 p -94.76 154.22 17.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' C' ' 17' ' ' VAL . 89.9 mt -56.19 -16.92 6.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.55 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -78.8 -30.97 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.71 -41.0 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -86.65 0.86 53.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' C' ' 60' ' ' ASN . 0.4 OUTLIER 71.28 -1.54 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.731 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' C' ' 60' ' ' ASN . 68.6 mt -40.34 98.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 11.8 mp0 -80.21 -157.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 158.07 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 59.03 34.81 23.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 37.4 m -85.05 164.06 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.407 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -121.56 98.62 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.6 115.98 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -77.37 98.09 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.39 122.45 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.601 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.4 t -131.24 171.73 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.601 ' H ' HG12 ' C' ' 70' ' ' VAL . 29.5 mt -110.67 166.83 10.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -145.72 159.35 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -159.6 124.72 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -46.96 160.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.88 -113.78 0.66 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.16 172.29 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 486' ' ' SER . 4.0 tppt? -166.51 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.4 pt -53.29 -11.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 33.0 p -63.87 -36.1 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 90.1 p -65.42 -56.9 9.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.27 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -71.35 -72.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.1 mm -49.71 -45.76 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -47.44 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.71 -49.46 40.58 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -53.27 -45.12 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.48 58.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.0 mm -89.1 -12.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -70.11 -79.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.641 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -77.4 27.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.19 -65.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -106.59 71.19 0.22 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 87.5 p -162.47 93.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -76.69 54.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.498 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 49.9 t30 -72.59 -171.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.498 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -109.51 0.44 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -84.87 -40.74 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.295 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.63 -58.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.369 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.547 ' CD2' HD22 ' A' ' 530' ' ' LEU . 9.0 mt -78.68 -18.77 53.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.22 -10.0 64.96 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -125.51 -46.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 509' ' ' LEU . 10.8 mp -67.71 -52.79 33.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.5 tp -51.64 -59.09 8.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.81 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.81 -44.31 22.39 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.383 2.056 . . . . 0.0 111.635 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.696 HG13 HD12 ' C' ' 8' ' ' LEU . 68.7 mt -63.66 -26.77 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.314 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -94.1 3.99 54.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -143.21 7.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.597 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.7 t -58.24 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.44 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.6 OUTLIER -171.38 -75.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.74 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -137.32 87.09 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 56.1 mt -117.83 149.86 46.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 111.995 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 22.1 pt -67.17 -2.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -73.96 -32.68 63.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 74.6 m -101.77 -45.47 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.3 -43.82 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.11 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.16 -53.86 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -51.15 -53.18 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 8.5 t -44.54 -45.02 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.16 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.43 -42.0 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 506' ' ' LEU . 51.3 mt -65.9 -44.58 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.569 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -59.55 -48.97 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.662 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.9 t -72.14 -58.85 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 537' ' ' THR . 41.2 m-85 -72.94 14.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -46.99 -31.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -78.9 -79.56 0.79 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.7 t -72.92 -173.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.533 ' N ' ' OG1' ' A' ' 537' ' ' THR . 21.0 p -170.98 170.11 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -156.84 178.79 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.72 -42.98 4.63 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.85 -31.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.662 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.4 -48.12 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.4 m -59.46 -58.96 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.8 p -41.99 -36.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 4.4 m -77.83 -60.33 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.1 OUTLIER -46.19 -28.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.361 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 13.4 mmt -74.28 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -39.08 -32.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -79.32 -48.51 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.2 m-85 -52.91 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.0 mp -67.16 -50.51 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 516' ' ' THR . 62.8 mt-10 -72.81 33.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 551' ' ' LEU . 28.3 ptt-85 -65.04 135.8 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.422 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -13.21 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.677 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . 59.71 12.65 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 556' ' ' ILE . 0.8 OUTLIER -62.03 23.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.92 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.677 ' H ' ' C ' ' A' ' 555' ' ' ALA . 4.2 mt-10 -118.13 -74.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 83.2 mt 40.24 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 557' ' ' GLU . 18.4 mtpp -130.51 -101.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 2.0 t -62.05 -179.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 560' ' ' THR . 56.2 p-10 -74.91 153.47 38.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 12.2 p-90 -158.95 -52.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.602 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.4 p -47.89 -20.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.01 -47.28 62.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.65 -46.06 89.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.5 mp -61.35 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.446 HD13 ' C ' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -61.04 -63.03 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -60.66 -70.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 51.4 tp -44.69 -22.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.8 -77.46 0.94 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 572' ' ' ILE . 10.3 tp -50.39 -24.59 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.49 -61.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -88.79 179.99 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.8 ttt -173.42 -75.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -62.16 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 53.86 -140.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 164.36 -80.37 0.12 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -47.0 -41.88 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -48.5 -50.45 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 584' ' ' VAL . 90.6 t -53.69 -53.44 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -40.01 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.31 -41.89 85.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 581' ' ' VAL . 44.6 t -60.25 -48.18 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.64 -38.47 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.49 -35.59 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.498 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 590' ' ' ALA . 7.0 m -63.17 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.515 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 13.0 tt -41.45 -30.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -82.55 -35.9 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.342 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.71 -20.42 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 591' ' ' ILE . 5.1 mm -74.22 138.67 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -43.61 149.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.453 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 33.8 m170 55.37 81.08 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.42 49.37 2.05 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.853 2.369 . . . . 0.0 112.095 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.1 tpt -67.76 -22.15 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 599' ' ' ILE . 16.9 p -62.83 -0.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 595' ' ' MET . 8.0 t -37.88 -38.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.71 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 596' ' ' THR . 11.5 mm -59.56 -47.87 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.62 -36.91 25.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.45 -27.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.0 tp -74.97 -56.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -30.35 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.26 59.74 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.0 t -69.39 -27.12 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.487 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 85.5 m -141.55 119.76 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.18 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 608' ' ' TYR . 24.8 m-85 -79.65 58.85 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 94.0 m -49.97 -34.4 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 45.24 -166.77 0.04 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 24.7 p -77.78 155.73 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.661 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.702 0 CA-C-O 117.973 -1.46 . . . . 0.0 110.914 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.0 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -89.01 129.67 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 pt -135.44 144.39 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.595 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.419 ' O ' HD12 ' B' ' 67' ' ' LEU . 97.2 m-85 -97.05 142.93 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.78 106.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -88.27 127.38 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.68 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.0 p -94.58 145.04 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.347 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.29 39.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.516 ' H ' ' C ' ' B' ' 7' ' ' THR . 76.1 p -146.63 5.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.53 76.25 1.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -173.89 116.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -102.15 126.62 49.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -114.65 136.5 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.745 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.8 m -105.46 114.6 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.23 132.96 53.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -91.86 75.1 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 11.5 m -98.25 -165.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.765 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.2 mt-10 -139.22 178.85 1.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.15 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.88 -28.25 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.835 2.357 . . . . 0.0 112.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.68 19.41 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.61 131.32 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 2.4 p -83.41 143.79 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.578 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mm -45.84 -47.71 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -50.57 -47.46 57.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 2.5 m-20 -58.29 -42.1 85.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.331 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.78 -54.45 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -50.69 -34.0 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.252 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.18 -48.94 71.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -57.35 -36.1 70.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.02 -43.01 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -59.06 -34.93 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.398 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' B' ' 28' ' ' ALA . 27.4 m-20 -71.88 -33.95 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -71.57 -56.96 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -95.74 -83.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 155.1 6.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 58.7 mt -75.89 112.68 21.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.648 0.261 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.97 138.14 12.49 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.664 2.243 . . . . 0.0 111.818 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.26 -62.36 0.46 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.845 2.364 . . . . 0.0 111.952 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -39.9 -34.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -96.11 60.32 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 64.6 mt-30 -155.77 114.23 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 72' ' ' ARG . 97.3 mtt180 -109.54 102.09 10.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.0 mt -88.21 125.06 34.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -116.51 140.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' B' ' 47' ' ' GLY . 86.2 t80 -163.51 160.85 23.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.439 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . 64.73 -66.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 178.62 13.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -152.65 -174.01 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -93.92 154.16 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.4 129.22 39.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -80.13 150.67 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.603 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -77.43 99.45 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 152.52 -61.33 0.39 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.409 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 40.9 mmt-85 -46.33 169.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -112.57 163.09 14.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 64.7 mt -67.49 -2.99 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -93.6 -14.27 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.615 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -83.15 -34.46 26.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -89.04 13.52 12.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 m120 55.32 29.35 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -76.91 104.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.67 -157.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.26 159.96 24.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.662 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.6 34.09 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -89.71 123.92 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.4 m -95.44 103.11 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.492 ' H ' HD12 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -102.47 143.76 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -87.06 157.83 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.333 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.754 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -144.88 122.31 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.679 ' N ' HD23 ' B' ' 69' ' ' LEU . 11.6 t -119.14 117.69 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.389 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.544 ' H ' HD23 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -90.63 133.82 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.64 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 42' ' ' ARG . 83.6 mtt180 -66.42 85.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 12.5 mt 58.79 170.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.04 120.47 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.05 -74.35 1.14 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.828 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -113.33 116.89 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.84 153.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.705 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -112.05 154.24 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -130.16 103.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.126 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -92.17 134.88 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.754 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 7.1 p -103.93 158.97 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 512' ' ' ILE . 4.4 mm? -71.06 50.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.514 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 62.6 p -151.6 1.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.74 77.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -83.95 151.48 25.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -141.11 136.76 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.48 125.36 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -96.03 119.99 35.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.63 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -88.17 125.89 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -143.28 -171.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.9 mt-10 -134.22 176.04 3.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.212 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.33 -25.26 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.788 2.325 . . . . 0.0 112.009 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -87.63 -5.06 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.699 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 8.5 m-20 -66.64 135.75 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.617 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.7 p -89.69 153.42 20.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.746 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -53.69 -46.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.384 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -53.35 -41.03 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 2.9 m-20 -62.43 -46.59 87.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.246 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.66 -51.89 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.264 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -52.12 -36.25 50.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.124 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -62.81 -45.76 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -59.88 -37.5 79.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -68.02 -31.22 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.36 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 44.9 tp60 -70.04 -34.7 73.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.46 -24.29 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -86.27 -67.18 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -78.41 -90.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.55 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.528 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 53.4 mt -88.08 108.86 23.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.654 0.264 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.47 137.26 11.42 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.65 2.233 . . . . 0.0 111.905 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -53.72 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.789 2.326 . . . . 0.0 111.974 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.44 -0.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.739 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.521 ' H ' ' C ' ' C' ' 38' ' ' PRO . 15.6 mm100 -126.46 50.33 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.1 mt-30 -147.97 168.72 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' C' ' 42' ' ' ARG . 3.3 tpm_? -162.86 114.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.3 114.5 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.534 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.406 HG21 HD13 ' C' ' 44' ' ' ILE . 3.2 mt -112.68 142.56 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -147.68 125.83 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.15 33.51 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.05 37.12 50.25 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -140.91 115.14 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -78.11 134.09 37.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.14 126.77 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -76.65 158.12 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.24 99.29 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.21 -57.94 0.45 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -45.27 169.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -112.92 163.22 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.8 -8.11 26.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.4 p -87.6 -25.77 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.41 -41.24 80.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -86.09 11.18 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.431 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 55.86 20.36 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.95 99.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -81.28 -172.46 3.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.3 160.18 32.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.48 29.81 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -91.58 110.32 21.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.33 131.04 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -82.28 101.66 10.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -83.97 127.46 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.427 ' C ' HD22 ' C' ' 71' ' ' LEU . 0.2 OUTLIER -145.3 172.28 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.533 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.8 mm? -95.74 167.36 11.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.377 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -136.79 162.41 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -175.99 110.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -66.41 152.7 44.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.47 148.99 8.4 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -70.65 87.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -167.25 8.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.6 pt -56.8 -27.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 64.0 m -55.51 -53.71 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.7 m -49.13 -44.33 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.41 83.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -53.91 -65.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.21 -16.51 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -77.77 -68.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.75 99.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.1 tp -58.4 -46.17 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.566 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.41 -37.32 65.72 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 495' ' ' ILE . 68.1 mt -91.91 -8.46 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -71.14 -68.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.513 ' C ' ' H ' ' A' ' 499' ' ' GLY . 50.1 p90 -74.26 23.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -57.97 -2.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -70.09 -127.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.0 t -84.17 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.315 . . . . 0.0 110.535 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -160.8 92.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -57.21 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -172.8 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -75.31 -23.7 57.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.507 HG11 ' CD2' ' A' ' 497' ' ' PHE . 1.3 t -52.77 -65.19 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.323 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.419 HD21 ' CE1' ' A' ' 534' ' ' PHE . 7.2 mt -71.54 -20.12 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -74.58 -6.87 78.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 36.8 tp -128.06 -48.92 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 509' ' ' LEU . 11.2 mp -68.03 -45.15 74.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 2.7 tp -59.19 -58.82 16.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.22 -42.46 21.77 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.466 2.111 . . . . 0.0 111.586 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.72 -34.84 66.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.17 18.72 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.9 26.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.1 OUTLIER -72.71 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.404 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.43 ' N ' ' OG ' ' A' ' 515' ' ' SER . 0.5 OUTLIER -170.93 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 6.8 p-10 -158.52 -95.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 14.9 mt 59.32 147.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.13 169.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.776 2.317 . . . . 0.0 111.953 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.2 mt -96.98 -50.98 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.56 -36.73 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.617 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 20.6 p -72.91 -68.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.34 -31.52 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.35 -66.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.7 tpt -46.45 -39.47 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.58 -59.5 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 56.3 p -46.21 -36.46 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -58.97 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.25 89.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 530' ' ' LEU . 0.2 OUTLIER -45.14 -53.64 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -66.55 -50.95 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -41.62 -54.86 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.1 t -67.54 -56.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.419 ' CE1' HD21 ' A' ' 506' ' ' LEU . 38.2 m-85 -76.89 27.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.458 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.4 p -64.89 -36.63 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -60.56 -90.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.9 t -67.86 -169.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 42.6 t -167.83 171.96 9.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.551 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 68.8 m-80 -160.44 165.12 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.23 -35.85 28.94 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -47.4 -42.81 22.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.59 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.43 -43.15 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 86.9 m -65.48 -66.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 80.5 p -39.99 -35.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.427 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 11.5 m -76.21 -55.88 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.314 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -32.21 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.403 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -68.18 -57.72 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -40.65 -38.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -71.27 -48.7 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -47.46 -53.33 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.442 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.7 mp -56.57 -42.19 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.506 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -87.4 30.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -137.21 77.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.459 ' C ' ' H ' ' A' ' 556' ' ' ILE . 72.3 p -93.38 136.77 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -54.58 -8.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.292 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.459 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -48.73 -30.55 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.5 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -82.26 -87.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 13.8 mt -102.48 175.46 5.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -172.9 91.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 0.0 OUTLIER -158.9 -100.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.559 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.54 ' N ' ' OG1' ' A' ' 560' ' ' THR . 46.9 m-20 -111.44 94.16 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.491 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 8.6 p-90 -156.07 -50.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.465 HG23 ' CE2' ' A' ' 562' ' ' TRP . 20.3 t -42.05 -44.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 69.9 mtp180 -45.68 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -40.29 -62.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.7 mp -43.46 -27.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.512 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 568' ' ' LEU . 11.0 mp -50.98 -45.64 61.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.64 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.9 tp -43.66 -25.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.542 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.21 -70.35 1.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 572' ' ' ILE . 66.2 mt -64.66 -8.92 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.52 -20.8 14.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -116.52 162.12 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 77.6 mtp -83.35 22.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 83.92 -71.01 3.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.12 143.14 34.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 142.33 116.06 1.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -45.97 -25.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -44.73 -48.47 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.83 -44.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -47.35 -43.82 23.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.98 -48.15 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 65.0 t -44.65 -53.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 53.0 mt -57.13 -47.75 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.69 -36.05 34.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 590' ' ' ALA . 13.6 m -63.69 -51.54 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 95.1 mt -48.85 -28.7 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 39.5 t -81.01 -26.54 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -74.3 -26.39 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.3 tp -102.66 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 591' ' ' ILE . 36.2 mt-10 -53.73 -110.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.7 OUTLIER 39.83 75.72 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.21 10.45 1.78 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.011 2.474 . . . . 0.0 111.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.3 mmt -95.58 -33.62 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.2 p -63.27 -13.89 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.4 p -43.18 -44.29 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.13 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.22 -40.21 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -55.04 -34.46 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.34 -51.81 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 602' ' ' LEU . 18.1 mt -47.46 -69.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.584 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 7.3 t -54.67 -28.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.2 -54.89 32.46 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 11.2 t -64.48 -68.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 69.1 m -82.25 118.92 23.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.18 -82.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.73 -4.45 43.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.8 m -65.83 -24.78 66.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -53.51 146.53 20.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 86.3 m -47.05 112.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -96.17 115.82 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.07 148.44 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.426 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 78.6 m-85 -105.08 129.98 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.11 99.83 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -76.85 119.92 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.658 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -91.66 141.95 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.596 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -64.9 -28.58 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.439 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -64.5 -36.47 84.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.75 70.54 0.2 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -175.94 122.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.6 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -97.73 111.82 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -96.34 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 3.4 m -101.06 122.88 44.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.184 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -126.5 137.61 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -86.53 112.75 21.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.8 -178.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 1.1 mt-10 -126.82 176.94 2.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.258 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.92 -26.29 11.24 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.762 2.308 . . . . 0.0 112.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.13 -0.46 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.4 m-20 -71.01 134.82 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -87.52 146.87 25.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.0 mm -48.37 -59.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -43.83 -36.01 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.76 -47.18 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.194 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.91 -47.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.24 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -54.97 -36.18 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.19 -50.91 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.86 -40.72 69.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.356 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -63.1 -48.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.51 -38.81 60.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.491 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -75.22 -62.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -85.45 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 173.87 6.18 0.03 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 33.7 mt -79.81 132.01 62.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.607 0.241 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.71 143.23 33.44 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.629 2.219 . . . . 0.0 111.961 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.688 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.37 -50.56 10.05 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.865 2.377 . . . . 0.0 111.959 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 39' ' ' ASP . 0.8 OUTLIER -62.49 21.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.688 ' H ' ' C ' ' B' ' 38' ' ' PRO . 23.5 mt-30 -153.23 46.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -146.58 133.17 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -126.2 108.54 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.88 115.2 27.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.22 142.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' B' ' 47' ' ' GLY . 72.2 t80 -167.51 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 48' ' ' LYS . . . -69.27 57.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 61.94 -4.94 0.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' B' ' 46' ' ' ALA . 34.6 mtpt -153.21 -166.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.65 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -92.99 145.41 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.31 131.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.72 158.65 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -75.88 125.27 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 125.36 -62.64 0.59 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.7 mmt180 -42.98 168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 57' ' ' SER . 21.4 p -116.83 157.76 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.01 -0.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.486 ' H ' ' C ' ' B' ' 55' ' ' THR . 3.8 t -94.48 -35.95 12.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -38.92 88.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -87.0 4.81 40.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 60.0 26.57 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.651 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.5 97.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' B' ' 65' ' ' SER . 36.4 mt-30 -72.55 -159.02 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -87.7 162.13 17.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 30.05 17.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.784 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 62' ' ' GLN . 1.4 m -83.01 131.85 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.37 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -94.78 105.24 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.27 174.89 7.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.427 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.43 100.87 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -85.59 132.84 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.03 106.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.654 HD23 ' N ' ' B' ' 71' ' ' LEU . 1.4 pt? -75.89 164.81 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -69.47 -109.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.456 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.427 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 42.1 mt -133.22 129.69 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -50.76 152.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.8 -98.79 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.931 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.43 ' SD ' ' C ' ' C' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.21 110.45 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -106.5 153.2 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -109.84 153.19 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.692 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -131.95 101.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.22 136.78 33.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.411 ' O ' ' N ' ' C' ' 9' ' ' THR . 53.7 p -102.01 142.04 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.83 64.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.411 ' N ' ' O ' ' C' ' 7' ' ' THR . 7.2 m -166.2 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.15 68.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -173.02 131.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -116.75 119.71 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.414 HD13 HG21 ' C' ' 13' ' ' ILE . 1.4 mt -101.48 124.75 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.692 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 35.4 m -92.4 126.24 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.26 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.84 130.94 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.79 119.7 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.214 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.4 m -140.15 -161.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.43 ' C ' ' SD ' ' C' ' 1' ' ' MET . 1.6 mt-10 -143.73 175.4 2.86 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.85 11.36 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.744 2.296 . . . . 0.0 112.111 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.84 2.59 53.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.69 137.56 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -87.49 142.74 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -48.23 -50.6 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.09 -37.44 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -65.19 -43.99 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.295 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.59 -50.05 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ1' ' HA ' ' C' ' 42' ' ' ARG . 62.4 mttm -53.12 -41.49 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.253 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.83 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.261 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.25 -41.09 92.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.298 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.11 -38.91 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.82 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.78 -27.96 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -78.59 -63.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.0 -102.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.28 8.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.437 ' H ' ' H ' ' C' ' 35' ' ' GLY . 51.7 mt -82.11 129.97 61.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.68 0.276 . . . . 0.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.59 143.63 34.5 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.597 2.198 . . . . 0.0 111.939 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' C' ' 39' ' ' ASP . 2.7 Cg_endo -46.07 -67.04 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.846 2.364 . . . . 0.0 112.17 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' C' ' 38' ' ' PRO . 6.8 m-20 -35.41 -41.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -75.91 -45.06 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' C' ' 38' ' ' PRO . 73.3 mt-30 -46.37 168.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.451 ' HA ' ' HZ1' ' C' ' 27' ' ' LYS . 6.5 tpp180 -170.08 99.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 mt -83.15 122.97 29.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.46 HD12 HG21 ' C' ' 70' ' ' VAL . 8.5 mt -122.74 132.73 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' C' ' 48' ' ' LYS . 70.5 t80 -132.58 135.83 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' C' ' 48' ' ' LYS . . . 44.15 43.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.52 -13.12 1.69 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.9 mtpm? -85.59 110.34 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -70.57 126.14 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.49 141.65 34.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -101.32 159.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.576 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.91 145.39 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 105.18 -58.67 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 53' ' ' GLY . 15.8 mmt180 -47.62 177.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.595 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -121.19 163.77 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.84 -7.23 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -88.72 -39.12 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.0 -39.19 71.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.21 -3.51 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.65 17.51 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.53 97.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -73.75 -172.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.86 159.32 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 60.65 28.94 18.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.1 m -84.75 126.87 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -88.29 100.0 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.4 125.23 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.23 107.48 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.44 129.34 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.606 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.6 t -141.63 174.95 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.604 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.606 ' H ' HG12 ' C' ' 70' ' ' VAL . 24.4 mt -113.73 149.68 34.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -108.18 158.82 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -173.21 98.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -69.31 176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.82 -148.72 5.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 485' ' ' ILE . 47.8 p -72.1 148.83 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -72.93 17.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ILE . . . . . 0.512 HG23 ' N ' ' A' ' 486' ' ' SER . 20.0 tt -46.6 -41.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 485' ' ' ILE . 29.5 t -50.67 -58.13 6.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.6 p -47.29 -42.07 20.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 485' ' ' ILE . . . -57.61 -35.73 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.45 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ILE . . . . . 0.427 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.0 mm -47.51 -46.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 34.9 tp -50.87 -45.96 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.12 -56.07 23.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.6 mp -47.96 -48.1 32.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.52 -37.6 26.49 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 495' ' ' ILE . 67.3 mt -82.73 -12.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.28 -53.08 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' PHE . . . . . 0.491 ' C ' ' H ' ' A' ' 499' ' ' GLY . 13.5 m-85 -57.07 -20.92 27.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -65.85 5.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -87.38 -97.66 0.88 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.8 t -94.89 -18.94 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 6.3 ttpm? 58.64 80.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.506 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.517 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 5.9 t-20 -86.43 -166.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.517 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 24.8 t70 -99.33 6.87 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.77 -33.09 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 110.153 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.48 ' H ' HG23 ' A' ' 505' ' ' VAL . 1.9 t -47.88 -62.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.29 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.1 mp -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.78 -9.93 57.21 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 33.8 tp -129.41 -44.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.5 -52.25 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.621 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.4 tp -50.0 -59.87 6.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.857 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.621 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.6 -51.81 8.41 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.45 2.1 . . . . 0.0 111.614 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.19 -23.11 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.88 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.594 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -168.4 24.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.7 OUTLIER -69.95 -48.29 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.41 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.444 ' HG1' ' C ' ' A' ' 515' ' ' SER . 2.8 m -169.93 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -173.9 31.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.72 151.11 1.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.78 150.2 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.794 2.329 . . . . 0.0 111.932 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 520' ' ' ILE . 67.9 mt -69.28 -4.36 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.71 -78.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 522' ' ' THR . 0.1 OUTLIER -58.82 -39.8 82.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.02 -55.83 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.08 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 528' ' ' LEU . 21.6 mmt -41.82 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -42.87 -58.08 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -51.5 -30.33 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -58.69 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.11 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.0 tt -56.28 -68.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.4 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -44.84 -45.09 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 89.3 t -76.37 -64.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 506' ' ' LEU . 20.8 m-85 -73.21 29.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.1 p -54.18 -29.12 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -96.86 -74.78 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -59.48 109.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.557 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.79 -178.26 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 52.3 t-20 -171.53 151.77 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.6 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -65.68 -45.48 88.86 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASP . . . . . 0.493 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 59.3 m-20 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.512 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.81 -51.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 544' ' ' THR . 61.6 m -60.85 -67.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 543' ' ' THR . 50.8 p -38.13 -44.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' B' ' 73' ' ' LEU . 11.2 m -67.13 -52.62 39.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -26.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -68.37 -49.1 62.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.43 -43.21 67.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.62 -34.35 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.79 -30.81 61.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 553' ' ' ARG . 1.1 tt -62.38 -55.37 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -74.01 21.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 551' ' ' LEU . 47.1 ttp85 -121.26 104.08 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 556' ' ' ILE . 72.4 p -109.41 136.75 48.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.486 ' O ' HD21 ' A' ' 558' ' ' LEU . . . -56.37 -0.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.227 0.537 . . . . 0.0 109.741 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.609 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -65.61 -30.84 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.438 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -93.68 70.29 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.486 HD21 ' O ' ' A' ' 555' ' ' ALA . 60.7 mt -77.57 111.17 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.465 ' O ' ' NE1' ' A' ' 562' ' ' TRP . 43.2 mtmt -146.26 107.22 4.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 1.2 m 59.05 167.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.42 ' H ' HG22 ' A' ' 560' ' ' THR . 1.5 p30 -80.19 147.21 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 560' ' ' THR . 12.6 p-90 179.09 -6.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.401 ' H ' ' H ' ' A' ' 562' ' ' TRP . 21.9 t -61.56 -16.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -66.66 -75.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -48.92 -43.34 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.29 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.74 -51.99 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 571' ' ' GLY . 15.8 tp -46.01 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -41.4 -71.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.01 -21.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 568' ' ' LEU . . . -80.72 -74.18 1.14 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 pt -58.28 -11.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.85 -66.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.5 121.75 16.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 75.1 mtp -50.78 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -168.77 53.69 0.21 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -67.49 -140.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -161.95 -72.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.36 -28.8 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.514 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.3 -45.66 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.8 -48.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.08 -39.62 28.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.88 -44.65 84.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.77 -59.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.71 -46.39 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLU . . . . . 0.493 ' OE1' ' ND1' ' B' ' 68' ' ' HIS . 4.6 tm-20 -57.59 -36.9 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' B' ' 68' ' ' HIS . 26.8 m -65.78 -53.17 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -46.99 -29.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 68.8 m -75.5 -39.99 57.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -62.84 -14.64 48.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 69.6 mt -103.34 78.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 55.86 -139.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.6 OUTLIER -169.73 73.31 0.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.649 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.64 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.964 2.443 . . . . 0.0 112.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 52.8 mtp -84.41 18.93 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -74.82 -13.64 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 30.2 t -41.96 -45.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.53 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.38 -33.56 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -59.04 -38.47 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.01 -32.11 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -62.19 -67.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.26 -30.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.79 -51.92 54.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 79.8 p -54.8 -46.13 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 11.2 t -79.64 119.86 23.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 173.53 -174.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -56.36 140.0 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 28.3 p -74.99 -81.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -165.06 125.62 1.39 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 94.6 m -60.93 -51.55 68.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.9 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.439 ' O ' ' OE1' ' B' ' 64' ' ' GLU . 78.0 mt-30 -91.13 106.6 18.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -101.02 150.42 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.41 140.42 37.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.67 102.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.251 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -83.93 119.26 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -91.58 142.17 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.568 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -59.09 -24.52 63.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.501 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -77.23 0.81 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.28 79.35 0.99 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -172.6 113.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.7 m -94.28 118.54 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.9 136.85 43.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.642 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -104.87 121.08 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.5 133.93 47.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -81.51 124.73 29.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.449 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 m -147.59 176.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.656 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 21.1 mt-10 -133.3 152.78 80.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.337 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 -34.54 10.01 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.889 2.392 . . . . 0.0 112.188 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -35.09 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.712 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.656 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.0 m-20 -42.54 138.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 25' ' ' ASN . 5.4 p -93.77 140.46 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mm -41.53 -49.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -52.61 -39.81 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' B' ' 22' ' ' THR . 21.9 t-20 -61.66 -45.92 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.07 -50.81 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -49.91 -42.11 47.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.91 92.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.38 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -56.14 -41.86 76.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.88 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.69 -32.34 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -76.32 -30.08 57.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -76.16 -61.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.08 -79.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.495 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.85 -0.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -70.9 126.52 92.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.37 142.06 32.81 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.588 2.192 . . . . 0.0 111.898 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.538 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.9 Cg_endo -46.22 -56.63 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.799 2.332 . . . . 0.0 111.995 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.13 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.538 ' H ' ' C ' ' B' ' 38' ' ' PRO . 20.0 mm100 -127.14 65.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.537 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -151.73 152.19 32.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -145.56 102.12 3.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.519 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 14.1 mt -97.26 128.02 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.402 HG22 ' HB1' ' A' ' 590' ' ' ALA . 26.7 mt -123.54 141.9 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.652 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.4 t80 -130.75 177.39 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.652 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -33.76 -38.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -75.85 -90.13 0.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 49.7 tttt -153.61 -141.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 9.2 tp-100 -84.21 132.49 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.457 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.71 125.74 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -83.5 159.78 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.92 159.82 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.14 -59.97 4.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 53' ' ' GLY . 11.5 mmt180 -42.86 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.603 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.513 ' C ' ' H ' ' B' ' 57' ' ' SER . 30.8 p -116.43 158.48 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.49 2.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.513 ' H ' ' C ' ' B' ' 55' ' ' THR . 38.4 t -96.38 -29.4 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -72.08 4.66 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -131.49 8.37 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 55.98 24.77 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.653 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.92 102.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -83.2 -162.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -80.54 157.38 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 2' ' ' GLN . 5.7 mm-40 60.1 25.73 15.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -82.05 131.67 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.11 121.41 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.22 120.69 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.493 ' ND1' ' OE1' ' A' ' 586' ' ' GLU . 0.2 OUTLIER -76.12 104.19 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.77 134.85 36.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.37 140.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.639 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.6 mp -83.68 134.38 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' HB3' HE22 ' B' ' 40' ' ' GLN . 54.5 ttm-85 -42.7 -66.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 545' ' ' SER . 56.3 tp -174.3 88.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.493 ' NH2' ' OD1' ' A' ' 541' ' ' ASP . 35.0 ttp85 -93.03 81.88 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.89 -119.27 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 117.949 -1.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.558 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -114.38 107.36 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.38 152.75 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.409 ' CE1' HG23 ' C' ' 14' ' ' THR . 93.3 m-85 -111.68 149.71 31.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.25 103.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.319 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -83.38 147.14 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' C' ' 9' ' ' THR . 15.3 p -125.6 146.74 49.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -70.77 42.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' C' ' 7' ' ' THR . 49.2 p -151.47 33.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.61 71.73 0.65 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -169.61 126.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 11.8 m -121.41 115.6 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.411 HG21 HD13 ' C' ' 13' ' ' ILE . 3.1 mt -96.09 134.71 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.409 HG23 ' CE1' ' C' ' 4' ' ' PHE . 4.2 m -100.73 125.79 47.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.388 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -130.46 132.01 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.745 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.03 123.03 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.558 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -145.53 -174.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.651 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 7.0 mt-10 -138.76 147.79 55.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.294 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.8 -14.16 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.833 2.355 . . . . 0.0 112.252 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -92.69 -23.96 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.651 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -49.32 141.29 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.343 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.483 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.0 p -95.93 134.96 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.7 mm -35.57 -56.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -46.74 -43.89 18.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' C' ' 22' ' ' THR . 15.0 t-20 -59.68 -43.76 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -51.29 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.154 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -52.53 -33.39 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.69 -46.98 73.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.378 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -59.1 -35.69 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 mt -68.91 -45.95 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -57.71 -31.5 66.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -75.96 -32.12 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -73.96 -51.85 14.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -97.99 -107.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.33 18.99 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.469 HG22 ' O ' ' C' ' 40' ' ' GLN . 10.4 mt -94.15 103.28 10.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.28 147.35 2.45 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.587 2.192 . . . . 0.0 111.849 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.98 -67.38 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.829 2.352 . . . . 0.0 112.06 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' C' ' 40' ' ' GLN . 6.6 p30 -42.47 -29.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLN . . . . . 0.481 ' N ' ' OD1' ' C' ' 39' ' ' ASP . 59.6 mm-40 -95.09 53.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 64.4 mt-30 -154.06 161.76 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 66.8 ttt180 -158.55 104.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.75 131.07 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.594 HD12 HG21 ' C' ' 70' ' ' VAL . 58.3 mt -128.14 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -142.41 128.89 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.32 10.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.65 40.22 15.69 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -147.06 125.21 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 13.5 tt0 -70.89 135.94 48.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.81 117.94 29.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -72.59 157.98 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -83.3 163.89 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.09 -33.63 3.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -77.06 169.88 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' C' ' 58' ' ' ASP . 22.9 p -108.97 164.25 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' C' ' 17' ' ' VAL . 86.6 mt -60.17 -35.6 75.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -66.62 -18.3 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' OG1' ' C' ' 55' ' ' THR . 8.2 m-20 -77.67 4.03 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.637 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -133.63 12.66 4.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 64.48 9.31 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.78 99.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.65 -158.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.676 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -85.71 159.09 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 53.86 30.16 11.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 43.1 m -78.53 129.95 35.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 30.4 m -89.84 99.23 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -80.98 168.61 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -121.78 103.03 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.3 135.1 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.594 HG21 HD12 ' C' ' 44' ' ' ILE . 2.9 t -142.08 153.84 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -110.82 104.63 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.7 179.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp -171.35 147.15 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -56.29 161.43 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.26 -143.07 3.56 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 10.1 t -161.69 -34.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 44.6 mttm 51.43 95.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.25 -22.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 41.1 m -60.4 -39.73 88.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 75.3 p -63.65 -51.57 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.63 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 97.2 mt -50.11 -23.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -57.15 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.5 -30.58 56.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.08 -51.45 64.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.54 -34.64 49.84 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 76.3 mt -76.11 -20.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.91 -39.64 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.55 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -100.39 41.48 2.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 6.4 t -161.52 -66.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.1 tttt 65.74 65.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.8 t-20 -91.59 -168.49 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.654 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 2.8 p-10 -106.66 -12.49 15.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -78.27 -20.26 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.268 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 505' ' ' VAL . 1.8 t -55.7 -45.67 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.48 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 530' ' ' LEU . 3.6 mt -90.43 -18.97 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.71 -11.95 69.81 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.37 -44.12 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 110.672 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 509' ' ' LEU . 87.6 mt -70.51 -54.88 10.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.2 tp -47.42 -58.65 6.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.421 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.68 -50.33 11.76 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.417 2.078 . . . . 0.0 111.455 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ILE . . . . . 0.827 ' O ' HD22 ' A' ' 518' ' ' LEU . 60.9 mt -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.234 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -111.89 18.04 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.425 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ALA . . . . . 0.416 ' O ' HD11 ' B' ' 73' ' ' LEU . . . 178.86 70.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.488 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 52.0 p -148.8 12.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 73.92 104.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 35.1 t0 62.81 115.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.424 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 512' ' ' ILE . 0.8 OUTLIER -167.14 156.84 9.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 519' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.8 Cg_endo -44.07 129.98 8.1 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.91 2.407 . . . . 0.0 112.029 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 555' ' ' ALA . 8.6 tt -79.93 -13.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 523' ' ' ALA . 30.1 mt-10 -74.08 -74.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.626 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 526' ' ' ALA . 80.2 p -64.39 2.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 519' ' ' PRO . . . -69.24 -68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -62.75 -55.6 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.6 mtt -43.28 -44.84 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 522' ' ' THR . . . -57.99 -59.74 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 28.5 p -48.92 -15.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -78.48 -58.06 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.93 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.654 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 506' ' ' LEU . 95.8 mt -72.34 -75.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -39.65 -41.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.73 -49.45 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' A' ' 535' ' ' VAL . 74.7 t -76.54 -59.42 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.649 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 15.9 m-85 -67.52 10.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.0 p -45.82 -41.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -75.0 -54.28 5.83 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 47.3 p -68.1 -172.8 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 13.6 t -173.86 137.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -149.12 129.89 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.549 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -54.71 -36.96 60.29 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -46.21 -40.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.27 -46.01 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 16.5 m -63.86 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.5 p -42.18 -35.0 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.7 m -74.84 -50.94 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.322 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -36.39 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.0 tpt -66.01 -42.22 89.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.458 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.15 -42.86 63.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 553' ' ' ARG . 2.8 t-20 -63.87 -52.36 60.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -41.47 -31.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.24 -63.53 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 1.1 mm-40 -81.69 18.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 549' ' ' ASN . 13.6 tpt180 -48.44 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 556' ' ' ILE . 46.9 p 52.5 -146.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.428 ' O ' HD13 ' A' ' 520' ' ' ILE . . . 47.5 9.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.01 0.433 . . . . 0.0 110.055 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ILE . . . . . 0.587 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -68.02 -11.44 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.545 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -72.53 -14.14 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 559' ' ' LYS . 10.0 mt -95.23 109.1 21.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 558' ' ' LEU . 42.4 mttm 59.77 128.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 561' ' ' ASP . 81.3 p -78.64 -162.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 560' ' ' THR . 18.3 t70 54.46 107.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' TRP . . . . . 0.4 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 57.0 p-90 -165.03 -41.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' VAL . . . . . 0.4 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 7.4 p -54.29 -25.42 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -63.6 -71.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -55.65 -48.84 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.37 -48.35 62.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.42 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.02 -48.99 77.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -61.76 -75.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 46.8 tp -42.63 -21.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.93 -75.81 0.93 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.04 -28.99 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.5 tp -44.58 -52.58 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.11 101.6 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -85.47 -31.62 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.88 177.16 52.22 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -150.51 119.53 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.27 -168.78 35.58 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -49.66 -35.34 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -42.72 -39.29 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.38 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.9 OUTLIER -42.77 -44.48 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.84 -48.79 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.4 t -46.68 -54.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.82 -51.06 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.52 -34.92 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 590' ' ' ALA . 8.1 m -68.07 -52.03 39.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.1 mt -46.64 -27.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.7 t -80.12 -35.08 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.55 -25.41 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 44.1 mt -95.43 146.05 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.67 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.1 t60 54.25 77.38 0.44 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.79 15.12 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.904 2.403 . . . . 0.0 111.973 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' MET . . . . . 0.454 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.0 tpt -73.65 -29.46 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.482 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 599' ' ' ILE . 39.0 p -59.65 -3.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.7 t -42.82 -32.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.79 -39.44 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 596' ' ' THR . 76.7 mt -69.7 -25.82 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.19 -39.13 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.62 -52.71 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.37 -69.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.64 -45.85 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.45 -42.82 57.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 t -65.27 -44.94 86.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 28.1 t -80.3 120.22 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.22 173.21 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 610' ' ' GLY . 43.9 p90 -52.21 141.57 18.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 609' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 610' ' ' GLY . 82.8 p 49.11 -87.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 166.67 -99.95 0.16 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 62.9 p -71.49 135.37 47.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 17' ' ' VAL . 20.9 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -85.53 106.44 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -112.73 152.2 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.495 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -104.4 153.77 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.68 104.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -88.96 131.85 34.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.437 ' C ' ' H ' ' B' ' 9' ' ' THR . 17.9 p -100.21 143.72 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.468 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.465 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -64.28 -0.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 7' ' ' THR . 51.7 p -91.95 -34.89 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.2 71.21 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -174.74 137.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -113.72 120.02 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.556 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.38 140.61 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -110.63 123.58 50.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.21 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -126.85 137.44 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.19 109.78 21.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.4 m -131.6 -168.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.755 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.646 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 10.9 mt-10 -142.07 150.2 55.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.329 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.65 -42.69 18.93 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.049 2.499 . . . . 0.0 112.572 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.3 t -72.58 -5.18 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.319 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.646 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.5 m-20 -67.7 137.7 55.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.658 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -87.37 139.37 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -45.41 -48.05 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.355 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -50.92 -44.64 60.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.219 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.505 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 10.5 t-20 -59.66 -40.49 87.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.269 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.23 -48.31 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -53.52 -41.14 66.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.177 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.35 97.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 55.1 mttp -58.18 -45.14 88.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.406 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.36 -39.21 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -60.16 -40.48 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.28 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -73.69 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.32 -88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.06 16.84 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 15.8 mt -80.36 112.33 29.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.66 0.267 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.45 134.15 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.568 2.179 . . . . 0.0 111.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.3 -39.72 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.674 2.25 . . . . 0.0 111.989 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.4 15.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' B' ' 38' ' ' PRO . 63.8 mt-30 -147.74 55.78 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 72.2 mt-30 -149.09 93.7 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -89.89 104.31 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -98.91 130.9 45.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.403 HG21 HD13 ' B' ' 44' ' ' ILE . 11.5 mt -131.18 141.02 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 57.6 t80 -131.71 170.89 14.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.678 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -31.65 -50.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.28 -88.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -152.86 -143.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.305 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -88.07 133.89 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.07 102.63 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.79 158.63 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.46 172.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 72.18 -71.05 1.0 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLY . 14.4 mmt180 -40.93 164.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -114.15 166.97 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.2 mt -63.5 -16.39 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' B' ' 59' ' ' TYR . 26.4 p -76.35 -33.61 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.51 16.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' B' ' 57' ' ' SER . 73.3 m-85 -138.94 1.75 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 62.8 26.11 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.689 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 107.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.401 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -87.32 -159.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -86.68 161.24 18.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 56.63 25.61 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.74 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -77.89 166.63 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.396 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -122.46 102.33 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.659 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -87.02 161.4 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -119.94 105.22 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.461 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -89.0 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.5 t -149.32 106.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.493 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.755 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.8 pt? -85.21 147.78 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -67.17 -177.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 514' ' ' ALA . 17.3 mt -53.9 120.28 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -47.73 151.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.67 75.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.025 -1.43 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -101.32 112.34 24.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -104.07 152.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -107.28 153.72 22.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -129.1 100.69 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.232 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -83.69 133.14 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.727 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p -83.88 -138.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.82 38.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -152.86 -27.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.68 70.89 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -171.85 137.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.561 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -131.39 109.18 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.59 139.43 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' THR . . . . . 0.562 ' C ' HD12 ' C' ' 15' ' ' LEU . 2.9 m -103.31 112.91 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.329 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.562 HD12 ' C ' ' C' ' 14' ' ' THR . 10.4 mp -115.47 128.19 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.827 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.11 113.72 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.1 m -136.34 -175.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' GLU . . . . . 0.632 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -135.44 178.99 1.5 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.117 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.62 -25.2 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.749 2.299 . . . . 0.0 112.229 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.1 p -89.17 -5.46 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.632 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -66.24 139.0 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -90.26 139.55 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.51 -51.63 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.298 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.95 -42.93 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.276 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 13.1 t-20 -59.88 -48.02 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.44 -49.02 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.193 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.49 -33.11 59.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.208 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.17 -47.86 72.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.405 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.12 -38.02 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.21 -39.81 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.458 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.25 -37.77 84.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.411 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.51 -27.45 63.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.518 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -77.04 -56.29 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -96.77 -93.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.26 12.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 18.4 mt -79.76 111.54 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.632 0.253 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.63 138.07 14.87 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.53 2.154 . . . . 0.0 111.79 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.41 -39.14 21.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.736 2.29 . . . . 0.0 111.957 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.24 -58.08 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.697 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.41 -42.2 86.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.657 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' GLN . . . . . 0.561 ' O ' ' NH1' ' C' ' 42' ' ' ARG . 76.4 mt-30 -44.58 151.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.619 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ARG . . . . . 0.561 ' NH1' ' O ' ' C' ' 41' ' ' GLN . 6.4 tpp180 -149.84 106.65 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -94.58 120.62 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -125.52 127.79 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -138.66 148.23 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.6 37.57 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.47 44.94 95.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -157.06 131.16 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.57 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -72.69 135.18 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.76 132.83 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.04 158.66 19.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -78.9 158.1 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 53' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 88.5 -60.96 3.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.1 mmt180 -42.61 169.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.493 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.9 p -117.4 157.97 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.72 0.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' SER . . . . . 0.493 ' H ' ' C ' ' C' ' 55' ' ' THR . 7.0 t -97.31 -10.74 25.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -86.91 -38.84 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -83.54 2.18 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 68.66 8.71 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -53.01 113.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.29 -162.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -86.02 158.21 19.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 55.7 32.75 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -83.85 141.91 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -89.86 107.62 19.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.38 114.39 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.77 108.0 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.473 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -91.87 129.28 37.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.539 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.572 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.9 t -141.01 172.5 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.572 ' H ' HG12 ' C' ' 70' ' ' VAL . 9.5 mp -100.03 166.97 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -135.29 157.91 45.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.422 ' C ' HD23 ' C' ' 73' ' ' LEU . 1.7 tt -171.58 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ptt-85 -44.58 157.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.46 127.51 0.89 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.758 0.313 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.1 mm -43.98 -32.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.98 -56.29 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.1 -56.33 23.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 496' ' ' ALA . 11.0 mp -45.88 -57.6 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -43.99 -36.78 3.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.29 -16.99 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.667 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -67.52 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -79.1 27.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.01 89.81 0.59 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 21.5 p -165.25 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.337 . . . . 0.0 110.571 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 501' ' ' LYS . 24.9 mtmm 55.48 57.6 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.623 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.3 OUTLIER -76.21 -150.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.623 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 17.1 m-20 -123.02 -24.67 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.37 -17.76 61.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.6 OUTLIER -65.88 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -64.39 -10.36 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.348 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.77 67.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 508' ' ' LEU . 0.8 OUTLIER -102.0 -28.53 12.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.87 -45.64 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.678 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.546 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.4 mt -48.13 -66.05 0.64 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.649 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.0 -53.5 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.68 2.253 . . . . 0.0 111.734 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.417 ' O ' HD22 ' A' ' 518' ' ' LEU . 4.5 mm -42.62 -31.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.73 36.85 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -157.37 -33.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.564 ' O ' ' OG1' ' A' ' 516' ' ' THR . 0.6 OUTLIER -38.28 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.633 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 515' ' ' SER . 4.9 m -172.23 98.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.736 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 516' ' ' THR . 13.9 t70 52.61 113.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' NH1' ' A' ' 553' ' ' ARG . 4.0 mp -137.58 148.04 59.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.48 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.76 121.74 3.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.858 2.372 . . . . 0.0 111.954 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 520' ' ' ILE . 68.9 mt -55.92 -6.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 519' ' ' PRO . 39.6 tp10 -64.09 -54.32 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 38.2 m -99.4 -32.32 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.622 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.96 -65.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.28 -65.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.8 mtt -39.87 -67.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 27.1 t -41.58 -50.92 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -48.61 -61.64 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.55 -49.95 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.5 tt -44.42 -57.97 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.44 -39.04 93.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.9 -53.06 10.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 535' ' ' VAL . 69.1 t -70.08 -63.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.512 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -75.84 31.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -62.13 -33.2 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.633 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -73.71 -81.63 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.6 t -67.92 -171.2 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.521 ' N ' ' OG1' ' A' ' 537' ' ' THR . 28.2 p -173.08 -177.33 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -167.16 170.4 11.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.62 -53.17 6.07 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -39.54 -45.67 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.95 -52.35 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.425 HG21 ' OH ' ' A' ' 574' ' ' TYR . 12.1 m -62.35 -63.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.9 p -40.18 -36.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 548' ' ' ASP . 8.0 m -76.44 -66.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.249 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -39.68 -30.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 545' ' ' SER . 4.0 tpt -72.55 -47.9 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 545' ' ' SER . 78.6 m-20 -48.05 -37.51 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 552' ' ' GLU . 0.5 OUTLIER -69.65 -52.41 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.459 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -40.89 -35.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.5 mp -76.97 -41.86 41.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.483 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 56.2 mm-40 -75.3 14.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 561' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -146.63 -12.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 563' ' ' VAL . 7.0 p -52.96 -15.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -70.92 -37.76 72.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -81.19 -60.67 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.3 mp -43.51 -46.13 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.33 51.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.3 tp -46.66 -72.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.525 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.89 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.4 tp -41.18 -23.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -75.62 -75.96 0.81 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.8 mt -50.71 -27.2 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 49.2 tp -46.28 -26.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 543' ' ' THR . 54.5 m-85 -118.0 163.39 16.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ptm -173.86 -14.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -77.34 -150.6 4.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.82 144.01 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.708 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 140.35 69.63 0.04 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 578' ' ' GLY . 7.0 mp0 25.97 34.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.708 ' N ' ' O ' ' A' ' 578' ' ' GLY . 54.5 mt-30 -69.69 -63.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.77 -28.27 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -58.91 -49.44 77.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.7 -42.71 99.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.486 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.1 t -51.8 -56.02 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.8 mp -53.99 -40.53 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.42 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -54.17 -39.36 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.33 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 590' ' ' ALA . 40.1 m -61.97 -55.77 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.08 -28.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.297 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 46.5 t -86.46 -29.51 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.92 -36.25 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.327 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 592' ' ' GLU . 13.6 pt -89.44 -157.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 591' ' ' ILE . 22.1 mt-10 -59.31 -147.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 0.5 OUTLIER -157.47 68.31 4.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 593' ' ' HIS . 3.1 Cg_exo -75.85 -158.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.939 2.426 . . . . 0.0 111.915 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.49 -19.0 63.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.5 m -49.53 -26.36 3.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 80.8 p -43.01 -37.98 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -53.33 -39.05 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.25 -40.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -50.55 -31.95 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.32 -49.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.5 tp -47.51 -62.41 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.29 -52.87 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -44.69 -31.92 2.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 20.9 t -76.59 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.499 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 46.6 t -74.98 119.15 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 177.39 160.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.5 p90 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -94.37 121.25 35.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -126.73 151.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.493 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 92.1 m-85 -108.14 141.27 40.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.604 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -120.25 103.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -89.11 117.65 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.719 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.18 142.56 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.505 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -53.19 -45.3 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -46.33 -62.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.78 82.12 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -175.11 159.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -136.75 104.59 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.55 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.744 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.493 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 51.1 m -109.2 125.35 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -120.47 158.22 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.717 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -111.0 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' B' ' 56' ' ' LEU . 9.7 m -98.19 -174.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.768 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 50.6 mt-10 -135.58 146.6 58.14 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.24 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.0 -23.51 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.902 2.401 . . . . 0.0 112.297 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 22.83 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.3 m-20 -96.17 133.1 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.5 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.1 p -82.21 139.12 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 21.5 mm -40.92 -50.49 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.62 -39.32 57.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.3 OUTLIER -63.21 -41.27 99.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.325 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.01 -50.08 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -52.81 -38.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.3 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.79 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -56.61 -38.74 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.75 -45.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -55.22 -34.93 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.32 -29.28 61.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -74.08 -57.79 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -97.7 -81.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.73 12.49 0.05 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.514 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 43.6 mt -79.86 113.18 35.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.652 0.263 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.19 138.47 13.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.53 2.154 . . . . 0.0 111.919 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.61 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.724 2.283 . . . . 0.0 111.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.5 -34.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 72' ' ' ARG . 10.4 mm100 -95.49 59.82 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 70.5 mt-30 -153.01 106.32 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -103.41 103.72 13.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.64 131.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.75 147.67 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.449 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.5 t80 -137.71 177.22 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.639 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -34.89 -34.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.6 -89.56 0.53 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 16.6 ttmt -153.43 -142.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.538 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 48.9 tt0 -84.12 131.43 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.421 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.6 mt -83.1 128.41 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.7 mp0 -80.12 159.52 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.02 110.23 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 145.66 -66.32 0.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -46.17 175.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 p -115.71 169.44 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' B' ' 17' ' ' VAL . 72.4 mt -69.97 -10.61 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.1 p -88.49 -11.93 44.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -82.34 -39.96 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -86.03 5.97 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.27 35.28 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.94 101.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -80.2 -157.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.65 160.53 19.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 59.3 35.18 23.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -94.47 130.74 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.8 m -94.32 105.27 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.56 123.27 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.34 101.36 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.459 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.27 131.85 39.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.31 135.9 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.401 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.662 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.3 mp -79.54 125.56 29.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.567 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.534 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 53.7 ttt85 -81.91 75.57 8.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 8.7 mt 58.8 148.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 73' ' ' LEU . 93.1 mtt180 -41.93 163.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.62 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.419 ' O ' ' OXT' ' B' ' 76' ' ' GLY . . . -160.38 106.88 0.3 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . 0.419 ' OXT' ' O ' ' B' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.02 -1.433 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.9 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -95.25 112.28 24.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -114.92 155.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' C' ' 14' ' ' THR . 68.6 m-85 -113.06 146.02 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.76 107.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.41 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -86.02 134.1 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.498 ' C ' ' H ' ' C' ' 9' ' ' THR . 67.8 p -85.49 163.58 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' C' ' 8' ' ' LEU . 0.1 OUTLIER -71.03 40.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.498 ' H ' ' C ' ' C' ' 7' ' ' THR . 3.2 m -153.18 -57.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.21 -51.56 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -43.63 137.44 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.454 HG22 ' N ' ' C' ' 13' ' ' ILE . 31.8 m -123.26 157.61 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' C' ' 12' ' ' THR . 3.4 mt -131.08 138.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.548 ' C ' HD22 ' C' ' 15' ' ' LEU . 8.8 m -105.84 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.85 ' N ' HD22 ' C' ' 15' ' ' LEU . 2.5 mm? -101.53 127.44 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.478 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -88.87 82.28 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.291 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -106.97 -166.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.462 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -136.35 178.07 1.91 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.061 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.58 -26.18 12.06 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.29 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 16.59 13.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.5 m-20 -87.68 138.76 31.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.2 p -87.41 141.45 28.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -46.2 -53.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -44.76 -43.79 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.174 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 40.4 t-20 -59.92 -47.78 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -54.33 -51.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.163 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -51.82 -35.31 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.091 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.51 -46.4 86.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.09 -29.94 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.312 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.81 -39.34 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.381 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.38 -35.76 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.406 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.08 -31.05 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.633 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -76.12 -63.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.08 -90.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 165.64 3.98 0.04 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 34.0 mt -79.35 131.5 65.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.618 0.247 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.12 143.55 36.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.551 2.167 . . . . 0.0 111.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.553 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -45.86 -61.67 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.792 2.328 . . . . 0.0 111.96 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -41.33 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' C' ' 38' ' ' PRO . 82.9 mt-30 -112.13 54.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -146.78 168.11 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.645 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -171.09 103.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 mt -85.26 128.61 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.456 HD12 HG21 ' C' ' 70' ' ' VAL . 7.9 mt -125.2 139.84 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -144.92 134.7 23.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.14 25.94 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 51.27 10.74 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.64 135.95 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.62 ' H ' ' NE2' ' C' ' 49' ' ' GLN . 3.5 mp0 -74.32 135.95 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 mt -93.78 105.85 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.58 154.74 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.58 173.97 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.24 -41.99 2.97 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.44 170.86 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -116.5 167.07 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.6 mt -69.26 -5.3 22.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -88.46 -29.68 19.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.31 -39.41 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -87.77 8.5 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 58.34 16.69 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.46 101.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.393 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' C' ' 65' ' ' SER . 37.8 mt-30 -81.2 -157.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -86.31 160.44 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 59.2 32.17 21.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' C' ' 62' ' ' GLN . 1.3 m -89.11 126.98 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -90.48 96.84 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.59 129.91 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -82.33 99.66 9.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.1 133.74 36.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.496 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.2 t -141.01 168.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.496 ' H ' HG12 ' C' ' 70' ' ' VAL . 22.4 mt -115.39 99.38 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' C' ' 73' ' ' LEU . 45.0 ttt85 -58.84 162.38 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' C' ' 72' ' ' ARG . 6.4 tp -156.61 141.75 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -62.98 -178.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.16 -133.62 1.75 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.7 mm -53.24 -40.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.94 -50.77 6.05 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 18.2 tp -61.41 -34.41 75.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.51 18.31 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.5 tt -76.05 -12.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -62.56 -63.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.631 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.6 p90 -79.17 18.89 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -44.85 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.67 88.34 1.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.2 m -154.45 -66.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.3 tttm 58.84 44.2 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -83.27 -150.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -88.96 -41.33 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 3.1 t -48.32 -51.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.375 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.6 mp -86.64 -19.91 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.43 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.87 -4.82 55.91 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.9 -42.91 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.15 -58.67 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.9 tp -45.08 -59.97 3.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.25 -49.82 11.0 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.538 2.159 . . . . 0.0 111.667 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.09 -20.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.51 7.37 17.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.488 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.411 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -137.19 2.71 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 511' ' ' PRO . 27.3 t -59.0 -85.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 515' ' ' SER . 3.6 m -168.0 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.8 114.06 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -152.26 158.66 33.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.431 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.88 111.75 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.893 2.395 . . . . 0.0 112.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.18 -38.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.23 -39.55 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 55.3 p -84.0 -64.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.528 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.54 -24.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.8 mtt -54.33 -23.35 14.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.26 -66.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 55.0 p -51.88 -25.91 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -63.57 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.26 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -59.27 -54.39 47.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.47 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -53.22 -46.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.21 -49.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.1 13.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.5 -35.38 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.23 -50.22 5.9 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 30.4 p -82.1 -174.26 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 10.3 t -171.48 154.82 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 59.3 t-20 -167.07 134.54 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -57.85 -40.03 92.44 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.07 -35.73 5.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.0 -37.56 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -68.47 -47.17 67.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 40.8 p -51.61 -47.55 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 1.5 t -64.71 -50.9 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.189 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -28.48 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.8 tpt -72.13 -38.82 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.94 -36.68 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.462 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -45.69 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.43 -32.22 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 553' ' ' ARG . 25.3 tp -74.02 -52.48 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.95 29.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.49 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.3 ttm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.445 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.426 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 13.7 p-90 -164.09 -41.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 38.8 t -47.15 -25.64 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -68.22 -43.03 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -62.09 -46.74 87.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.4 mp -57.85 -61.74 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -48.12 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 56.3 tp -45.88 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 43.7 tp -41.99 -21.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -81.91 -77.29 1.05 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.6 tt -46.14 -24.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -48.11 -27.29 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -109.17 132.11 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 16.7 mmt -84.99 10.47 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 84.1 57.25 2.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.43 -100.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.07 -101.39 0.14 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.74 -32.27 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 580' ' ' GLN . 0.4 OUTLIER -46.76 -57.43 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 584' ' ' VAL . 98.1 t -54.89 -49.81 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 581' ' ' VAL . 9.8 t70 -38.72 -44.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.87 -42.87 80.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 581' ' ' VAL . 46.6 t -52.76 -44.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.91 -44.86 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.22 -34.61 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 590' ' ' ALA . 17.2 m -67.49 -55.38 13.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 98.9 mt -43.86 -32.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 62.4 m -78.07 -32.04 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.19 -26.41 62.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 592' ' ' GLU . 7.5 mm -77.84 172.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 591' ' ' ILE . 93.3 mt-10 -46.65 -11.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 591' ' ' ILE . 37.5 t60 60.31 70.29 1.03 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.78 -153.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.919 2.413 . . . . 0.0 111.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 55.1 mtt -73.19 22.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 594' ' ' PRO . 12.1 t -74.31 -2.9 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.539 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.2 m -41.06 -37.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.89 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 90.9 mt -42.33 -30.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.23 -47.38 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.21 -58.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 602' ' ' LEU . 10.0 mp -49.98 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.6 t -49.96 -27.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.05 93.53 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 -70.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.8 120.61 26.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.27 -73.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.645 HE21 ' N ' ' B' ' 3' ' ' ILE . 1.6 tm0? -93.74 130.37 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.645 ' N ' HE21 ' B' ' 2' ' ' GLN . 15.0 pt -138.58 149.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.669 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.434 ' CE2' ' NE2' ' B' ' 2' ' ' GLN . 98.0 m-85 -104.84 149.41 25.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.681 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.76 107.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.42 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -85.72 137.8 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.451 ' C ' ' H ' ' B' ' 9' ' ' THR . 40.1 p -103.41 142.03 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 41.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.451 ' H ' ' C ' ' B' ' 7' ' ' THR . 77.0 p -139.67 -32.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.36 62.75 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -174.77 131.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -108.5 156.47 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.46 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 13' ' ' ILE . 4.6 mt -137.24 130.35 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -100.73 128.03 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.74 133.43 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.777 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -92.49 76.84 5.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.262 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.7 m -97.2 -163.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.6 mt-10 -138.32 177.5 2.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.099 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.3 Cg_exo -75.32 -42.22 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.749 2.3 . . . . 0.0 112.175 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -71.42 -11.9 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.767 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.06 136.38 57.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.429 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.7 p -89.08 140.87 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -41.2 -55.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -49.15 -35.68 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.534 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 16.7 t-20 -64.9 -44.01 90.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.131 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.9 -40.05 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.181 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.237 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.2 mttp -58.14 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.88 -44.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.403 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.19 -35.9 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -72.04 -27.99 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.04 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -94.52 -95.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.66 15.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.557 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 32.2 mt -81.32 112.67 35.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.26 137.91 13.71 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.598 2.199 . . . . 0.0 111.944 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.34 -56.43 2.94 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.728 2.286 . . . . 0.0 111.96 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.81 -30.82 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -100.91 61.63 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 59.3 mt-30 -153.27 92.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -88.43 110.72 21.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.453 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.53 121.69 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.694 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.448 HG22 ' HB1' ' A' ' 590' ' ' ALA . 8.7 mt -117.99 142.33 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.462 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.9 t80 -147.8 112.16 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 590' ' ' ALA . . . 42.05 -85.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.623 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -42.03 -86.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 47.1 tttt -157.04 -141.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 49.3 tt0 -88.71 136.95 32.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.253 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 50' ' ' LEU . 5.7 mt -85.67 126.03 33.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -78.96 160.18 27.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -78.06 115.86 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.585 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 141.49 -66.83 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.7 mmt85 -45.56 174.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 50.6 p -116.33 170.49 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.4 mt -70.6 -0.3 8.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.9 m -93.17 -40.64 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.578 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -53.07 -38.16 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -88.44 8.26 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 53.55 36.05 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.728 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.21 101.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.413 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.71 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.61 159.77 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 63.59 31.37 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.697 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -91.19 123.69 34.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -93.45 94.69 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.512 ' H ' HD12 ' B' ' 67' ' ' LEU . 2.2 mp -86.38 141.21 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -85.99 141.26 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -128.2 131.26 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -137.91 116.53 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.599 ' O ' HD12 ' B' ' 71' ' ' LEU . 0.3 OUTLIER -75.27 161.88 28.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttt-85 -62.11 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -173.62 111.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -79.06 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.95 -73.12 0.47 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.418 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -103.43 121.04 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.88 149.43 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.21 147.47 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -125.06 102.61 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -85.52 126.3 33.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -84.52 155.7 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.364 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -71.71 49.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 26.0 p -149.82 -44.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.42 -28.33 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' C' ' 34' ' ' GLU . 37.0 ttpt -68.27 155.58 39.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -138.38 143.39 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.25 143.5 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -109.56 116.96 32.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.369 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.17 134.06 55.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.773 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -91.74 113.26 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.29 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -135.32 -165.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.516 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 13.4 mp0 -142.9 148.43 45.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.258 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -43.85 14.03 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.887 2.391 . . . . 0.0 112.224 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -39.92 92.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 14.7 m-20 -40.64 146.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 3.9 p -98.1 146.25 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.597 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.93 -51.15 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -48.59 -44.32 36.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.192 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.527 HD21 ' NZ ' ' C' ' 29' ' ' LYS . 0.3 OUTLIER -59.0 -40.02 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.193 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.02 -46.67 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -54.41 -39.83 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.08 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.393 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . 0.527 ' NZ ' HD21 ' C' ' 25' ' ' ASN . 36.5 mttp -57.38 -41.1 79.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.304 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.14 -45.22 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.411 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.05 -35.35 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.59 -36.64 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -68.76 -60.89 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.465 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' C' ' 11' ' ' LYS . 67.2 mm-40 -90.52 -95.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.52 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.81 23.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.44 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 81.5 mt -90.99 106.21 14.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.697 0.284 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.63 137.26 11.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.776 2.317 . . . . 0.0 111.979 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.32 -44.95 19.57 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.729 2.286 . . . . 0.0 112.014 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.39 9.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.71 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.529 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.0 mt-30 -137.02 54.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -150.77 177.57 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' C' ' 49' ' ' GLN . 51.6 ttm-85 -171.3 104.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -86.72 119.04 26.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 44' ' ' ILE . 6.1 mt -118.82 136.19 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.53 134.15 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 44.21 13.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 53.11 49.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -159.53 121.45 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' C' ' 42' ' ' ARG . 25.9 tt0 -73.57 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.44 122.05 30.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -78.69 158.96 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.59 162.99 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.46 -64.5 2.55 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -41.76 150.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 110.634 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.524 ' C ' ' H ' ' C' ' 57' ' ' SER . 30.9 p -98.93 157.25 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' C' ' 17' ' ' VAL . 97.9 mt -61.26 2.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.524 ' H ' ' C ' ' C' ' 55' ' ' THR . 38.1 t -96.15 -37.73 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -55.79 -41.53 74.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -83.79 6.11 22.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m120 56.61 29.83 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.51 98.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -77.66 -157.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -83.67 159.91 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.23 32.25 20.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -91.59 126.44 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 15.2 m -91.33 118.16 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.21 125.51 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -78.61 101.66 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 131.5 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.631 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.7 t -137.13 172.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.631 ' H ' HG12 ' C' ' 70' ' ' VAL . 25.1 mt -114.04 166.99 11.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . 0.425 ' HB3' ' HE ' ' C' ' 42' ' ' ARG . 36.4 ptt180 -145.74 169.3 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' C' ' 74' ' ' ARG . 43.0 tp -169.38 148.74 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 73' ' ' LEU . 31.5 mtt-85 -41.17 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.54 -136.67 2.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.2 mm -51.09 -36.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 20.9 tp -52.59 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.62 -50.2 54.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.7 tp -46.49 -47.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.556 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.73 91.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.1 mm -80.58 -2.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -81.12 -75.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -77.5 20.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -45.78 -67.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.3 73.68 0.59 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 24.0 m -137.43 -62.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 56.33 68.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.4 OUTLIER -105.37 -148.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.542 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.571 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 20.0 m-20 -114.54 -14.65 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -81.08 -44.66 17.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.229 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.5 t -45.76 -55.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.69 -26.61 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.66 -4.68 54.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.57 -41.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.828 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -44.56 -60.34 3.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.685 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.88 -49.12 11.48 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.62 2.213 . . . . 0.0 111.737 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 518' ' ' LEU . 61.8 mt -56.87 -19.49 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 26.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.03 -38.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.56 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 514' ' ' ALA . 65.2 m -31.57 -64.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.469 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 23.6 m -153.36 -79.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 518' ' ' LEU . 21.2 t70 -146.46 -55.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 517' ' ' ASP . 2.7 mt 51.48 173.97 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.96 156.93 43.21 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.804 2.336 . . . . 0.0 112.031 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 522' ' ' THR . 61.2 mt -74.03 -39.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -41.21 -27.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 520' ' ' ILE . 68.1 p -108.65 -57.49 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.12 -41.58 5.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 525' ' ' MET . . . -64.81 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 524' ' ' ALA . 21.6 mmt -37.85 -47.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.19 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.3 p -57.47 -21.95 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 528' ' ' LEU . 0.9 OUTLIER -74.95 -37.59 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -75.09 -44.08 49.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.98 -64.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -49.86 -51.07 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -41.18 -56.61 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.2 t -67.56 -55.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.55 30.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.6 p -70.33 -26.51 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.69 -67.09 1.58 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.7 p -68.78 -171.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 31.2 t -172.27 155.88 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -161.28 127.01 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -45.04 -35.16 4.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -50.13 -46.06 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.19 -37.23 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.3 m -66.64 -55.46 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.422 HG21 HD21 ' B' ' 71' ' ' LEU . 58.5 p -46.17 -31.12 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -56.4 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.02 -21.91 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.1 tpt -77.63 -58.07 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -44.35 -37.4 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.635 HD21 ' NH1' ' A' ' 553' ' ' ARG . 0.4 OUTLIER -68.54 -53.59 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -48.73 -32.46 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.3 tp -69.71 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 516' ' ' THR . 19.9 mt-10 -44.42 -37.85 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.635 ' NH1' HD21 ' A' ' 549' ' ' ASN . 50.4 ttm-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.84 0.352 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 46.6 p90 -161.07 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.482 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 5.8 p -53.3 -12.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.523 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -68.5 -44.85 73.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -78.13 -53.19 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.7 mp -49.07 -45.17 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.43 72.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.07 -58.33 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.98 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.5 tp -40.53 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.523 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.77 -77.69 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.7 tt -54.32 -13.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -45.2 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -55.77 117.08 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 12.6 tpt -92.52 -57.03 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -87.3 111.94 3.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -47.46 167.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 159.94 179.9 35.04 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -73.83 -15.79 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.74 -52.67 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 582' ' ' ASP . 7.7 p -49.1 -42.7 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.534 ' N ' HG13 ' A' ' 581' ' ' VAL . 33.9 t0 -53.6 -41.94 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.519 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.61 -41.79 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.02 -45.59 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -63.01 -49.32 75.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.444 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -49.22 -33.28 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.336 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 9.2 m -69.66 -47.46 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.433 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.2 mt -46.68 -36.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.7 p -74.42 -33.48 62.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -59.14 -22.11 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.511 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 37.9 pt -119.19 -163.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.06 174.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 593' ' ' HIS . 3.3 p80 -143.66 74.29 16.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.52 -152.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.97 2.447 . . . . 0.0 111.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 26.2 mtt -69.4 37.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 594' ' ' PRO . 9.9 t -94.35 -7.53 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.3 p -45.31 -40.35 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.96 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 66.7 mt -74.48 -51.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -45.81 -62.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.48 -53.19 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -45.02 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.68 -40.13 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.09 -31.82 56.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 606' ' ' CYS . 33.4 p -79.4 -58.49 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . 0.437 ' N ' ' OG ' ' A' ' 605' ' ' SER . 41.9 t -74.8 124.29 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.81 -155.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 47.1 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' B' ' 2' ' ' GLN . 7.9 pt20 -85.59 122.5 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -123.2 144.87 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -98.94 142.47 30.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.89 104.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -90.13 119.93 30.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.719 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 9' ' ' THR . 26.6 p -89.66 143.28 26.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 42.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.478 ' H ' ' C ' ' B' ' 7' ' ' THR . 52.6 p -135.63 -15.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 65.48 0.63 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -173.99 141.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -120.45 132.34 55.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.412 HD13 HG21 ' B' ' 13' ' ' ILE . 5.2 mt -119.28 133.76 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.776 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.02 122.38 46.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -125.27 139.87 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' OE2' ' B' ' 18' ' ' GLU . 4.4 tm-20 -91.06 113.68 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.409 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.8 m -133.91 -170.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.686 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 20' ' ' SER . 49.9 mm-40 -138.59 144.02 40.52 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.367 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -9.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.869 2.379 . . . . 0.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -105.01 12.69 31.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.724 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 18' ' ' GLU . 3.6 m-20 -87.6 137.43 32.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 55.5 p -84.63 138.21 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -44.88 -40.41 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.372 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.01 -41.74 88.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -62.51 -40.73 97.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.2 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.72 -49.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.28 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -53.4 -40.16 64.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.28 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.71 83.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -55.9 -38.94 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.4 -49.58 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.422 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -53.44 -30.97 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -75.81 -30.43 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -77.39 -61.67 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -91.04 -109.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.22 25.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 71.2 mt -97.65 99.94 7.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.594 0.235 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.9 Cg_endo -44.77 144.21 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.723 2.282 . . . . 0.0 112.018 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.32 -66.96 0.13 Allowed 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.792 2.328 . . . . 0.0 112.031 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.3 t70 -36.92 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 73' ' ' LEU . 15.1 mm100 -97.51 60.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.644 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 66.9 mt-30 -154.64 137.28 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -134.06 96.94 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.12 136.42 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.454 HG22 ' HB1' ' A' ' 590' ' ' ALA . 9.1 mt -136.72 144.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.369 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 60.4 t80 -135.1 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -35.55 -45.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.703 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.66 -90.02 0.06 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.42 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 43.1 tttt -154.11 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.31 . . . . 0.0 110.542 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 39.1 tt0 -86.04 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.55 129.94 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -88.41 159.73 17.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.21 162.92 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.66 -67.02 3.07 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.63 ' NE ' ' N ' ' B' ' 54' ' ' ARG . 4.2 mmp_? -43.14 169.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.663 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 67.4 p -113.13 171.55 7.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' B' ' 17' ' ' VAL . 73.4 mt -66.51 -28.97 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.45 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.8 t -66.05 -28.05 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' B' ' 59' ' ' TYR . 59.8 m-20 -77.56 30.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' O ' ' B' ' 58' ' ' ASP . 76.7 m-85 -158.48 4.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.8 m-20 59.57 24.69 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.11 98.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -80.24 -160.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -82.62 161.93 22.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 56.15 32.79 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.8 m -91.2 130.28 37.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -92.54 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.76 123.76 46.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -78.66 104.21 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.757 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -96.19 118.69 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.602 ' N ' HD23 ' B' ' 69' ' ' LEU . 4.3 t -119.65 114.82 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.788 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.7 pt? -85.57 141.19 30.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.602 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' NE ' ' OE1' ' B' ' 40' ' ' GLN . 6.6 ptm180 -90.42 71.07 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 17.5 mt 61.35 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.512 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -158.6 -171.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.83 79.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.812 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.903 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.5 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -92.86 123.35 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.62 142.37 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.405 ' O ' HD12 ' C' ' 67' ' ' LEU . 78.8 m-85 -96.39 136.25 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.94 105.17 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.408 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -83.82 133.06 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.7 p -83.11 -139.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.94 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 3.5 m -160.15 -14.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.45 64.7 0.24 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -173.39 148.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' C' ' 13' ' ' ILE . 94.7 m -135.76 161.45 35.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.544 ' N ' HG22 ' C' ' 12' ' ' THR . 3.2 mt -138.41 137.52 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.511 ' C ' HD22 ' C' ' 15' ' ' LEU . 3.7 m -106.19 102.66 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.74 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.4 mm? -97.12 133.92 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.0 103.46 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.4 m -129.44 -164.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.61 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 5.0 mt-10 -145.86 146.73 29.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.238 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.32 -13.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.866 2.377 . . . . 0.0 112.274 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.6 p -105.08 19.94 19.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.799 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -93.34 137.48 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.434 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.459 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.5 p -82.38 129.23 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' C' ' 22' ' ' THR . 35.4 mm -38.82 -51.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.449 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -49.82 -43.31 48.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' C' ' 22' ' ' THR . 16.5 t-20 -60.24 -41.81 93.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -48.42 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -53.26 -41.71 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.268 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' C' ' 32' ' ' ASP . . . -60.64 -46.42 90.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.301 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -56.9 -38.83 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.84 -42.08 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.51 -36.4 73.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' C' ' 28' ' ' ALA . 1.3 m-20 -70.61 -34.37 72.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -71.4 -58.93 3.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -93.03 -95.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.9 17.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 27.7 mt -90.14 105.91 12.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -45.77 144.3 5.69 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.649 2.233 . . . . 0.0 111.956 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.58 -62.78 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.85 2.367 . . . . 0.0 111.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -44.9 -29.79 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -97.19 55.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.4 mt-30 -149.13 165.45 31.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.469 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 52.2 ttt180 -162.73 103.72 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -92.55 117.39 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.9 mt -116.59 128.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.576 ' O ' ' HB3' ' C' ' 46' ' ' ALA . 70.8 t80 -128.98 126.04 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' C' ' 45' ' ' PHE . . . 73.28 -9.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' C' ' 45' ' ' PHE . . . 121.54 -14.45 9.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -98.94 143.67 28.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -81.15 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.75 111.63 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 154.79 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -77.11 172.3 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.24 -61.97 2.22 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -46.63 168.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.435 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 28.2 p -108.53 173.44 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.67 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' C' ' 17' ' ' VAL . 34.0 mt -68.91 -22.16 64.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.694 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.435 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 19.1 p -69.54 -27.28 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.644 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -76.42 15.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' C' ' 57' ' ' SER . 94.8 m-85 -143.07 4.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 54.26 46.87 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.11 110.27 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.4 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -88.57 -171.44 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.779 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.15 160.38 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 59.27 28.71 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.726 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -85.38 127.75 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -92.94 104.01 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.405 HD12 ' O ' ' C' ' 4' ' ' PHE . 4.9 mp -87.52 172.69 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.467 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -122.76 99.3 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -85.15 130.62 34.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.36 159.66 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.576 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.7 mm? -84.09 125.23 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.07 148.0 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 59.2 tp -170.56 88.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.95 156.86 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.59 -144.58 6.92 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.834 0.349 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.4 mm -42.58 -47.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 491' ' ' LEU . 9.9 mp -59.17 -42.84 91.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.84 -48.75 84.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.8 mp -58.08 -36.95 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -44.09 93.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 28.4 pt -87.29 1.58 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.722 0.296 . . . . 0.0 110.619 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -84.01 -59.44 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 51.9 p90 -89.54 20.47 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -38.66 -67.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 80.11 0.26 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.0 m -138.26 -67.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 62.49 64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -91.96 -94.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -177.61 -30.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 505' ' ' VAL . 19.9 tp10 -81.09 -38.95 26.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 504' ' ' GLU . 4.3 t -38.93 -49.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.279 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 511' ' ' PRO . 7.7 mt -82.55 -30.7 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.378 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -55.35 -9.34 2.17 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.8 tp -120.76 -43.38 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.318 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.418 HD13 HD21 ' A' ' 530' ' ' LEU . 74.2 mt -66.21 -63.15 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.792 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.9 mt -38.4 -64.78 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.55 -53.56 5.4 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.749 2.299 . . . . 0.0 111.744 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.5 mt -51.38 -17.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -128.12 11.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -154.95 16.61 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.8 m -63.04 -57.13 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 552' ' ' GLU . 3.2 m -168.25 -53.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -168.51 68.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.43 149.87 40.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 124.05 5.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.757 2.304 . . . . 0.0 111.986 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.5 -13.96 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.16 -46.48 89.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 69.0 p -87.97 -49.42 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.52 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -51.17 -46.4 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.8 mtt -59.87 -71.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -43.1 -47.48 6.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.7 t -47.16 -45.06 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.53 -31.42 69.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -53.37 -53.55 49.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.6 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 509' ' ' LEU . 42.1 mt -63.95 -51.26 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 535' ' ' VAL . . . -42.46 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -56.48 -50.17 72.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.555 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.8 t -69.75 -68.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.98 17.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.6 p -46.33 -47.95 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.613 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -78.69 -73.95 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.5 m -62.84 115.66 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.8 m -104.12 170.39 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.443 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -163.16 167.87 21.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 544' ' ' THR . . . -78.28 -47.31 8.33 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -44.5 -41.68 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.9 -59.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.6 m -59.46 -59.19 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 540' ' ' GLY . 78.6 p -40.74 -55.21 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.401 ' CB ' HD22 ' A' ' 510' ' ' LEU . 4.2 m -60.17 -55.72 30.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.347 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -29.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.221 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -77.62 -43.45 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -45.95 -47.88 16.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.322 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -69.05 -40.91 78.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.297 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.517 ' CE2' HD21 ' A' ' 566' ' ' LEU . 15.6 t80 -59.53 -29.38 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.438 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' A' ' 553' ' ' ARG . 16.9 tp -72.46 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 516' ' ' THR . 31.1 mt-10 -71.35 22.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.5 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' A' ' 551' ' ' LEU . 34.7 ttp180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.796 0.331 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 54.0 p-90 -168.47 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.588 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.8 p -44.32 -19.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 562' ' ' TRP . 29.5 ttm-85 -80.58 -71.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.72 -47.26 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.517 HD21 ' CE2' ' A' ' 550' ' ' PHE . 56.4 tp -56.4 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.33 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.7 -53.4 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -50.37 -58.19 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.07 -3.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -93.51 -67.25 1.07 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.16 -39.5 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.2 tp -42.43 -68.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.23 107.32 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.47 -7.53 14.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 58.75 102.62 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -163.27 17.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -173.79 173.89 46.01 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -65.93 -1.39 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.55 -55.4 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 582' ' ' ASP . 5.8 p -52.05 -38.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 581' ' ' VAL . 7.1 t70 -52.92 -46.56 68.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.93 -49.43 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 51.3 t -42.15 -48.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.86 -40.43 92.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.426 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -55.49 -40.96 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.308 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.42 ' HG1' ' CD2' ' B' ' 68' ' ' HIS . 9.4 m -62.81 -48.45 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 79.7 mt -46.27 -39.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.26 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.5 t -67.32 -34.2 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.268 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.48 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -56.8 -32.51 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 51.5 mt -103.36 75.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 54.72 -158.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 0.0 OUTLIER -175.49 46.17 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.634 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.7 Cg_endo -44.26 -102.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.939 2.426 . . . . 0.0 111.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 597' ' ' SER . 0.6 OUTLIER -107.73 3.71 24.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.712 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 598' ' ' ALA . 9.8 t -48.48 -10.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 595' ' ' MET . 69.5 m -44.01 -19.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -74.2 -48.83 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.38 -30.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -65.92 -35.79 81.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.79 -47.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.08 -71.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.574 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.83 -38.85 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.74 -38.31 53.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.6 m -70.13 -46.19 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.0 110.6 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.08 119.61 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -179.93 -174.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.537 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 34.8 p90 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -98.79 100.87 12.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.481 HG12 HG22 ' B' ' 17' ' ' VAL . 9.6 pt -94.84 149.75 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.42 137.19 41.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -119.75 107.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.385 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -93.85 118.38 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 9' ' ' THR . 62.3 p -87.07 142.88 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.484 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.31 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -135.73 -31.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.24 66.72 0.17 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -173.31 139.35 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -124.66 111.34 15.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.47 152.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.56 ' C ' HD22 ' B' ' 15' ' ' LEU . 4.1 m -117.15 103.69 10.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.391 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.744 HD22 ' N ' ' B' ' 15' ' ' LEU . 3.3 mm? -100.01 130.15 46.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.77 92.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.481 HG22 HG12 ' B' ' 3' ' ' ILE . 9.4 m -115.84 171.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.684 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 81.3 mm-40 -122.38 147.67 50.51 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.291 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.07 -25.79 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.968 2.445 . . . . 0.0 112.628 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -95.76 14.18 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.027 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.684 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 34.8 m-20 -82.03 133.62 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -82.24 140.55 33.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -44.14 -53.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -50.52 -34.83 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.05 -49.25 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.231 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -53.4 -39.3 64.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.324 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.78 81.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.479 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -57.16 -36.7 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -67.65 -47.48 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.39 -40.08 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.27 -37.13 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -68.24 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -84.3 -86.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.09 -0.75 0.05 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 56.3 mt -72.04 132.38 84.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 0.0 110.456 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.54 143.31 34.16 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.717 2.278 . . . . 0.0 111.911 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -64.62 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.865 2.376 . . . . 0.0 112.0 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 5.3 m-20 -38.03 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 38' ' ' PRO . 66.2 mm-40 -104.69 53.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -149.21 138.58 21.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.65 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -138.5 97.05 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 12.6 mt -87.43 134.09 33.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.48 HG22 ' HB1' ' A' ' 590' ' ' ALA . 5.0 mt -130.45 144.83 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.1 t80 -131.85 179.64 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.1 -35.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -78.17 -87.65 0.43 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.433 ' C ' HG23 ' B' ' 44' ' ' ILE . 37.5 tttt -157.15 -145.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 6.6 tp-100 -80.33 137.69 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.421 HD23 ' N ' ' B' ' 50' ' ' LEU . 7.3 mt -89.68 123.86 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.19 159.43 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 121.37 23.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 133.33 -70.2 0.52 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.3 mmt180 -44.42 170.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.554 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -113.45 173.07 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.583 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' B' ' 17' ' ' VAL . 42.4 mt -73.32 3.1 6.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.655 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -93.76 -27.73 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.9 -39.03 72.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.616 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -85.16 8.75 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m120 54.79 40.12 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 mt -86.44 113.35 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.44 -158.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -86.43 159.33 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 57.69 22.27 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -77.08 133.29 39.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -88.29 112.36 22.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.69 122.55 45.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.42 ' CD2' ' HG1' ' A' ' 587' ' ' THR . 19.8 m80 -76.3 103.26 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.12 111.27 22.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.36 137.52 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mt -85.56 165.52 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -109.5 73.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.47 174.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -45.48 119.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.28 -41.41 9.3 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.956 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.46 104.16 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.473 HD12 HD22 ' C' ' 67' ' ' LEU . 21.0 pt -96.92 151.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.757 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.15 152.64 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.51 100.0 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.251 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.19 125.12 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.43 ' C ' ' H ' ' C' ' 9' ' ' THR . 82.1 p -85.43 155.67 21.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 43.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.43 ' H ' ' C ' ' C' ' 7' ' ' THR . 1.3 m -150.24 -32.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.62 -54.55 0.54 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -40.16 140.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -132.86 116.23 16.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.67 165.77 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.671 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.507 ' C ' HD12 ' C' ' 15' ' ' LEU . 6.6 m -133.35 106.24 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.326 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.529 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.7 mp -107.19 136.69 46.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.98 105.09 17.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.272 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -127.3 170.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.583 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.2 mm-40 -119.43 177.23 1.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.097 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.57 -25.28 12.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.69 2.26 . . . . 0.0 112.051 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -92.38 4.81 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 17.2 m-20 -74.95 137.34 41.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -87.18 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.24 -52.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.435 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -47.94 -40.44 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.265 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -62.48 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.05 -48.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.308 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.25 83.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -56.12 -41.79 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.317 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.37 -42.13 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.489 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.54 -33.01 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.49 -32.13 62.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -75.52 -64.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.76 -95.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.559 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 164.07 17.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 43.0 mt -85.69 110.8 32.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.591 0.234 . . . . 0.0 110.464 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.84 137.9 12.23 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.601 2.201 . . . . 0.0 111.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.29 -57.35 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.762 2.308 . . . . 0.0 112.074 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . 0.457 ' O ' ' CZ ' ' C' ' 72' ' ' ARG . 13.8 t70 -46.08 -38.87 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.7 -35.81 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 90.7 mt-30 -57.31 150.64 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -150.27 104.85 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.19 115.21 24.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.45 HD12 HG21 ' C' ' 70' ' ' VAL . 7.0 mt -117.07 126.54 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -143.75 145.22 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 38.35 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.2 51.51 58.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -168.42 132.71 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.89 138.0 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.73 119.98 26.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.58 158.18 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 161.59 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.606 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.19 -66.37 3.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.7 mmt180 -40.95 164.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.424 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.6 p -114.8 160.18 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.44 -1.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.424 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.84 -15.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -81.9 -30.56 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.61 6.49 48.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . 0.535 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 6.8 m120 61.87 14.12 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.77 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -57.62 115.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 17.0 mp0 -87.74 -161.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.672 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -86.42 159.35 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.735 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 56.28 24.35 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -78.93 135.55 36.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.499 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . 0.444 ' C ' HD12 ' C' ' 67' ' ' LEU . 3.9 m -83.46 126.52 32.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . 0.473 HD22 HD12 ' C' ' 3' ' ' ILE . 8.5 mp -112.49 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -72.51 100.61 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.04 126.44 33.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.545 HG12 ' H ' ' C' ' 71' ' ' LEU . 0.8 OUTLIER -138.73 176.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.482 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.545 ' H ' HG12 ' C' ' 70' ' ' VAL . 15.5 mt -94.94 163.83 13.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.611 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . 0.457 ' CZ ' ' O ' ' C' ' 39' ' ' ASP . 45.0 ttp85 -129.03 156.03 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -173.89 119.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -54.7 176.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.81 179.5 38.76 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 25.0 mm -53.44 -36.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.39 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.59 -39.79 4.72 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 4.6 mp -62.12 -38.84 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.53 -48.02 88.26 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.54 -9.61 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.51 -48.35 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 1.2 m-85 -66.35 6.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -78.57 11.57 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -64.86 -96.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 34.3 t -158.28 75.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mttp 42.64 79.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -94.1 131.75 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -6.05 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -81.45 -37.61 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.01 -60.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.078 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.3 -22.86 66.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.8 -34.1 76.13 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.8 tp -113.03 -38.73 4.41 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 3.8 mm? -66.95 -60.5 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.902 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.647 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 0.3 OUTLIER -40.51 -60.41 1.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.61 -57.21 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.299 1.999 . . . . 0.0 111.609 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 512' ' ' ILE . 67.5 mt -53.47 -11.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -106.36 -8.82 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.476 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -167.62 43.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.539 174.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 511' ' ' PRO . 6.2 p -69.65 -56.98 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.136 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.7 OUTLIER -172.73 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -171.4 90.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -120.76 149.95 51.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.66 121.22 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.817 2.345 . . . . 0.0 111.937 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.7 pt -64.72 4.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 519' ' ' PRO . 45.2 mt-10 -74.84 -61.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 p -82.29 -45.07 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.65 -38.1 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.72 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 19.9 mtt -59.01 -49.56 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -48.5 -56.89 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.544 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.7 t -51.12 -53.7 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 13.9 tp -49.58 -38.09 30.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -57.18 -46.48 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -72.96 -65.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.54 -31.32 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 535' ' ' VAL . 81.0 t -75.11 -69.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -74.3 20.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -51.55 -31.33 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.28 -96.68 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 5.7 t -58.2 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.477 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.0 p -152.51 170.37 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 13.5 m-80 -158.23 145.38 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.95 50.45 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.72 -46.17 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.05 -36.94 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.3 m -66.27 -53.91 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.9 p -56.63 -27.56 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 0.9 OUTLIER -79.26 -59.42 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.293 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -29.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.4 mmt -74.56 -55.46 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -39.42 -41.02 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -69.69 -52.54 24.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.655 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.74 -29.27 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.9 mp -75.87 -53.99 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -48.54 -11.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 551' ' ' LEU . 24.5 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.746 0.308 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.404 ' C ' ' N ' ' A' ' 564' ' ' ARG . 2.1 p-90 -148.2 -12.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 60.1 t -46.38 -21.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.582 ' NE ' ' CZ ' ' A' ' 565' ' ' PHE . 18.1 ptt180 -71.76 -47.31 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CZ ' ' NE ' ' A' ' 564' ' ' ARG . 29.6 m-85 -58.89 -36.58 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.485 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -69.86 -28.03 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.86 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.8 mp -47.87 -31.98 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.612 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -76.32 -84.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.4 tp -48.21 -17.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.65 -77.84 0.75 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.43 -5.71 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 16.9 tp -40.96 -63.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -69.6 -166.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.0 ttt -150.62 -78.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -72.33 124.28 9.8 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -78.28 125.82 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -164.39 -157.91 9.84 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.94 -9.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 578' ' ' GLY . 35.5 mt-30 -63.72 -66.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.9 t -46.62 -34.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.26 -73.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.93 -46.64 52.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 580' ' ' GLN . 56.3 t -43.29 -66.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 92.1 mt -47.88 -47.69 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.75 -43.78 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.0 m -56.34 -51.15 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.6 -39.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.345 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.0 t -63.11 -39.5 94.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.79 -30.2 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.388 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.849 HG22 ' H ' ' A' ' 592' ' ' GLU . 16.5 mm -80.06 179.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.849 ' H ' HG22 ' A' ' 591' ' ' ILE . 69.7 mt-10 -56.91 -144.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -141.52 73.42 24.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.53 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.058 2.506 . . . . 0.0 112.008 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 34.3 mtt -89.98 16.55 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.6 p -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 47.8 t -43.29 -45.8 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.03 -59.31 5.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.98 -43.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -53.92 -38.78 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.68 -57.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.81 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.7 t -49.61 -33.95 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.16 87.59 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 27.4 p -64.57 -46.96 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.786 0.327 . . . . 0.0 110.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.8 t -80.67 129.69 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.44 -170.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.65 120.64 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.3 148.96 33.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.67 151.6 24.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.97 104.83 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -87.22 128.16 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.646 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 9' ' ' THR . 13.7 p -102.38 144.04 31.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.494 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 40.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.435 ' H ' ' C ' ' B' ' 7' ' ' THR . 62.3 p -140.38 0.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.64 71.73 1.14 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -174.42 152.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.335 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -143.18 97.57 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 153.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.424 ' C ' HD12 ' B' ' 15' ' ' LEU . 8.5 m -129.09 100.37 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.612 ' N ' HD12 ' B' ' 15' ' ' LEU . 9.6 mp -98.83 168.65 9.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -122.58 76.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.185 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.4 m -98.16 -162.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.961 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.435 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.2 mt-10 -142.33 177.02 2.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.013 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.09 12.08 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.13 14.68 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.78 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.86 140.08 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.537 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 p -86.93 137.49 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.1 mm -44.15 -51.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.331 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -47.71 -43.89 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.28 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.41 -41.23 93.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.209 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.59 -51.17 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.184 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.18 -44.15 61.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.229 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.26 79.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -54.42 -47.9 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -56.66 -47.05 82.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.21 -30.45 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.25 -43.85 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.19 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.442 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.09 -102.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 174.53 7.46 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 39.6 mt -69.26 134.83 89.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.17 135.1 22.24 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.561 2.174 . . . . 0.0 111.876 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.97 -39.91 19.99 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.652 2.235 . . . . 0.0 112.021 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.01 7.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' B' ' 38' ' ' PRO . 14.8 mt-30 -145.66 63.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -149.08 95.1 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 72' ' ' ARG . 7.0 mtp180 -88.3 103.89 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.18 125.43 39.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mt -125.17 147.06 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 68.8 t80 -136.29 173.44 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.627 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -37.14 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.74 -87.25 0.83 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -155.85 -137.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.625 ' NE2' ' N ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -85.01 134.62 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.79 111.16 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.664 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.78 159.24 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.57 165.66 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.61 -63.24 4.44 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 53' ' ' GLY . 33.3 mmt-85 -45.09 173.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -117.1 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.535 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.5 mt -71.46 -12.23 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.596 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.6 p -83.23 -18.13 40.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -84.12 12.53 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -138.67 8.29 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 55.53 34.14 22.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.678 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -81.43 95.97 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.02 -157.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.652 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -84.49 161.72 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.706 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 56.69 37.97 29.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -95.36 133.72 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.55 95.36 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.59 122.76 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.71 143.59 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.226 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 tp -137.3 121.88 18.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.4 132.87 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.622 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.4 mp -84.67 158.52 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 42' ' ' ARG . 19.5 mmt180 -103.67 61.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.532 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.6 mp 56.35 78.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -51.11 -177.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.0 -139.55 6.04 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 117.987 -1.451 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.23 112.79 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -103.5 149.17 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -102.29 134.64 45.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -120.14 104.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -86.03 138.58 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.46 ' O ' ' N ' ' C' ' 9' ' ' THR . 71.7 p -109.45 142.25 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.467 ' O ' HG23 ' C' ' 9' ' ' THR . 10.8 mt -69.01 59.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.467 HG23 ' O ' ' C' ' 8' ' ' LEU . 49.7 p -162.23 -5.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 65.55 1.4 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -172.43 125.45 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 14.1 m -108.01 151.45 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' C' ' 13' ' ' ILE . 1.1 mt -132.64 122.1 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -89.75 118.88 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.1 mt -115.57 130.28 56.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.788 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.14 94.83 8.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.34 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -121.38 -179.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.781 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 10.4 mt-10 -123.48 170.59 8.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.217 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' C' ' 57' ' ' SER . 3.4 Cg_exo -74.54 -2.0 11.83 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.797 2.331 . . . . 0.0 112.156 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -113.92 -4.57 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 30.2 m-20 -64.05 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.539 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -84.95 142.62 29.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.586 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -46.0 -52.86 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.78 -43.01 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 16.1 t30 -59.92 -45.98 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.318 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.14 -50.24 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.224 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -52.74 -35.03 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.157 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.25 -45.42 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -59.43 -37.62 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.71 -36.79 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' C' ' 32' ' ' ASP . 2.7 m-20 -73.35 -29.77 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.4 -57.58 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -93.78 -93.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.44 22.91 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.43 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 67.0 mt -93.01 104.37 11.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.591 0.234 . . . . 0.0 110.514 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.37 138.71 9.98 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.608 2.205 . . . . 0.0 111.926 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.528 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.15 -41.12 21.72 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.79 2.327 . . . . 0.0 111.939 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.24 23.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' C' ' 38' ' ' PRO . 23.2 mt-30 -153.25 50.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.8 mt-30 -148.19 176.21 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -171.38 104.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.91 123.0 32.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.418 HD12 HG21 ' C' ' 70' ' ' VAL . 3.8 mt -120.52 125.09 73.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.1 t80 -99.28 -114.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -80.16 57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.64 84.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -123.4 132.82 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.91 142.63 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.28 123.33 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.605 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -83.44 157.95 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.6 120.29 21.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 127.66 -67.54 0.55 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 12.6 mmt180 -42.26 167.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -108.47 171.69 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.604 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' C' ' 17' ' ' VAL . 90.9 mt -70.33 -12.1 61.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' C' ' 19' ' ' PRO . 1.4 t -83.78 -27.63 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.22 -39.61 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.41 10.51 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.95 30.22 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -80.39 101.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -80.71 -159.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -81.97 161.21 23.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.68 30.15 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -82.89 132.92 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -86.54 140.26 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.35 172.27 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -128.46 137.48 51.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . 0.719 HD23 ' N ' ' C' ' 70' ' ' VAL . 5.5 tt -107.34 121.2 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.719 ' N ' HD23 ' C' ' 69' ' ' LEU . 2.3 t -132.75 157.55 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.25 102.68 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -72.12 159.61 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.495 HD23 ' N ' ' C' ' 74' ' ' ARG . 2.1 tt -171.66 111.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . 0.495 ' N ' HD23 ' C' ' 73' ' ' LEU . 51.9 ttp180 -59.95 145.8 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.76 149.96 6.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 14.0 mm -44.41 -56.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 491' ' ' LEU . 40.0 mt -46.59 -51.31 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.69 -58.39 6.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -49.26 -39.81 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.69 91.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.2 mm -83.74 -12.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.67 -77.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 498' ' ' ALA . 5.5 p90 -85.68 29.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.675 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -39.88 -42.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.439 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -108.91 -177.98 21.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 500' ' ' SER . 8.1 p 64.87 100.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.551 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -71.01 52.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 504' ' ' GLU . 56.5 t-20 -59.0 125.27 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.61 8.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.695 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.0 tp10 -90.66 -48.61 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.094 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.38 -35.76 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.2 mp -93.61 -24.17 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.471 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.53 34.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.22 -45.99 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 509' ' ' LEU . 7.9 mp -67.69 -54.11 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.932 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.2 tp -48.96 -58.75 7.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.747 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.14 -49.06 13.42 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.44 2.093 . . . . 0.0 111.634 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.56 -20.97 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.272 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -110.44 20.02 18.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -162.14 20.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.48 ' O ' ' OG1' ' A' ' 516' ' ' THR . 38.6 t -71.66 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.309 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 0.2 OUTLIER -172.23 67.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 516' ' ' THR . 3.0 t70 80.83 109.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.4 OUTLIER -162.13 155.7 17.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.319 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.29 107.49 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.827 2.351 . . . . 0.0 111.945 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.451 HG22 HD21 ' A' ' 549' ' ' ASN . 19.8 pt -74.56 19.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 519' ' ' PRO . 7.9 mp0 -78.8 -30.86 45.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 33.9 p -103.88 -26.1 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.83 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.6 mmt -49.68 -46.99 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.32 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -53.86 -35.05 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.82 -45.3 61.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.22 -45.44 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 532' ' ' HIS . 91.8 mt -69.22 -68.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.615 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.96 -23.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 530' ' ' LEU . 23.8 t60 -72.93 -55.2 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.4 t -70.52 -29.56 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.633 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -101.9 11.32 38.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -44.84 -31.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.82 -84.77 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.6 t -74.68 -173.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.409 ' N ' ' OG1' ' A' ' 537' ' ' THR . 17.8 p -168.79 177.64 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -158.25 172.1 18.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.87 -45.7 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.06 -47.41 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 67.4 mt -49.53 -42.78 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 57.6 m -66.75 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.4 p -39.33 -37.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.415 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 18.2 m -74.05 -53.32 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -29.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 75.4 mmm -71.6 -48.86 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -47.52 -41.83 21.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.406 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.451 HD21 HG22 ' A' ' 520' ' ' ILE . 24.9 t-20 -68.1 -41.76 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.79 -19.34 63.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 553' ' ' ARG . 43.2 tp -87.49 -52.61 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.72 30.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 551' ' ' LEU . 11.4 ptp180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.81 0.338 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.58 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 6.2 p-90 -159.77 -62.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.58 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 13.9 p -50.28 -12.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 562' ' ' TRP . 47.8 ttp180 -79.06 -44.27 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -79.61 -40.18 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.9 mp -60.87 -55.8 28.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.35 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.648 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.95 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -52.09 -60.6 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.5 tp -45.56 -20.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -82.15 -76.63 1.09 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 574' ' ' TYR . 11.5 mm -44.72 -29.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 44.7 tp -43.69 -21.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 572' ' ' ILE . 38.0 m-85 -118.83 157.36 27.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER -171.46 11.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.565 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -156.05 167.69 33.35 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' A' ' 579' ' ' GLU . 4.3 tp-100 53.2 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.69 86.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 579' ' ' GLU . 20.6 mp0 -83.28 -45.31 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -56.78 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 582' ' ' ASP . 9.5 p -48.39 -38.83 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 581' ' ' VAL . 13.7 t70 -56.87 -51.28 69.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.28 -37.37 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 17.6 t -58.75 -44.37 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.8 -43.58 81.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.73 -32.12 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 590' ' ' ALA . 22.6 m -70.76 -56.6 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -43.76 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.309 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.9 t -81.89 -32.35 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.317 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -55.81 -27.98 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 68.6 mt -85.11 91.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 43.44 -124.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -170.87 71.84 0.54 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.85 -160.92 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 597' ' ' SER . 8.4 ptp -90.56 14.33 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.4 t -57.28 -3.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 595' ' ' MET . 73.1 m -42.81 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.476 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -71.75 -51.66 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.1 mt -63.32 -39.85 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -54.8 -54.28 44.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 597' ' ' SER . 92.1 t -56.62 -56.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.0 tp -43.24 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.68 -16.77 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.5 -60.32 5.53 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 35.0 t -58.95 -60.97 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 30.6 m -82.18 122.0 27.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.41 -72.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.585 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -80.22 114.42 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.23 150.9 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -108.06 144.91 34.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.619 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -127.45 104.2 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.421 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -85.27 118.99 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 9' ' ' THR . 72.9 p -88.02 141.91 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 44.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 7' ' ' THR . 82.0 p -141.76 -18.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.43 65.71 0.52 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -175.17 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -107.61 114.93 29.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.97 145.1 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -117.52 119.62 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.03 138.13 53.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -90.18 114.9 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.334 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' B' ' 56' ' ' LEU . 14.2 m -131.4 -171.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.473 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.6 mt-10 -133.79 144.58 52.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -19.57 0.67 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.934 2.423 . . . . 0.0 112.341 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -98.3 12.76 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.645 0.26 . . . . 0.0 111.093 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.6 m-20 -84.58 135.37 34.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.1 p -81.55 145.23 30.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.718 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.9 mm -51.89 -41.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 14.5 pt-20 -55.93 -42.12 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.105 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.5 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.19 -53.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -49.79 -42.22 46.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.145 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -59.69 -45.99 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -56.37 -49.35 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.28 -47.55 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -55.14 -29.39 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.374 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 28' ' ' ALA . 3.7 m-20 -72.41 -42.45 65.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -69.65 -64.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -84.34 -104.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.68 9.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 42.1 mt -70.51 128.67 90.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.526 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.06 137.1 25.87 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.535 2.157 . . . . 0.0 111.898 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -42.05 23.43 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.785 2.323 . . . . 0.0 111.929 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.24 8.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' B' ' 38' ' ' PRO . 10.0 mt-30 -144.01 62.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -150.54 132.19 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -129.03 96.95 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.81 127.87 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.48 143.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.435 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.651 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 76.2 t80 -133.12 178.07 7.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.651 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.96 -32.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -82.48 -89.12 0.68 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 tttt -153.24 -143.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -84.7 138.09 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -89.94 133.76 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.5 mp0 -94.74 157.16 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.97 168.56 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 80.53 -71.96 2.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.5 mmt180 -39.98 164.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 73.6 p -111.33 -179.76 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' B' ' 17' ' ' VAL . 56.1 mt -77.35 -3.38 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.423 ' C ' ' H ' ' B' ' 59' ' ' TYR . 13.9 t -87.18 -29.57 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -76.88 20.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.7 m-85 -145.71 6.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 54.63 38.56 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -83.07 98.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -79.8 -163.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -82.17 160.49 23.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.38 169.74 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.332 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -133.33 90.33 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.471 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.72 124.09 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -83.74 105.13 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.4 tp -91.13 130.1 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.673 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.21 133.53 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.37 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.0 mp -89.38 155.91 19.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -104.73 70.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.415 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 15.5 mt 62.12 79.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -42.37 124.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.02 -161.43 13.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.832 0.348 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -88.98 116.83 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -117.21 151.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -109.54 142.85 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.65 100.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -83.78 122.03 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -81.55 142.25 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.379 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -71.79 58.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -161.85 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.9 70.61 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -171.82 157.46 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -143.99 107.12 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.01 136.6 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -106.17 123.1 47.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.346 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.52 134.92 48.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -87.19 118.61 26.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.416 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' C' ' 56' ' ' LEU . 3.8 m -138.44 -166.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 39.1 mt-10 -145.45 152.49 49.9 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 -48.57 10.86 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.068 2.512 . . . . 0.0 112.321 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.403 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.8 OUTLIER -57.91 -40.05 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.865 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 5.1 m-20 -39.66 139.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 6.7 p -94.59 145.23 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 mm -46.49 -52.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.288 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -46.81 -44.04 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 8.6 t30 -58.92 -45.78 89.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.069 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.31 -48.49 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.036 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -53.38 -35.65 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.055 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.76 -44.62 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.02 -39.8 87.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.92 -35.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.83 -35.43 81.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -73.67 -28.54 61.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -79.1 -63.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -85.19 -96.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.44 23.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 45.1 mt -97.21 99.43 6.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.694 0.283 . . . . 0.0 110.541 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.22 144.73 4.03 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.645 2.23 . . . . 0.0 111.918 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.55 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.9 Cg_endo -45.7 -46.14 15.53 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.779 2.32 . . . . 0.0 111.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -70.52 29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.9 mt-30 -156.0 45.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.7 mt-30 -143.32 173.98 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.494 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 23.1 ttm180 -166.06 93.24 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.84 115.24 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.467 HD12 HG21 ' C' ' 70' ' ' VAL . 6.5 mt -112.21 136.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -143.49 129.0 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.64 28.01 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.63 53.56 8.33 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -165.42 133.49 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' NH1' ' C' ' 42' ' ' ARG . 72.9 mt-30 -79.67 130.26 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -82.82 129.8 35.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 4.1 mp0 -81.34 158.63 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 171.68 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.42 -57.7 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 36.6 mmt-85 -44.08 146.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.626 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.8 p -94.76 154.22 17.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' C' ' 17' ' ' VAL . 89.9 mt -56.19 -16.92 6.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.55 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -78.8 -30.97 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.71 -41.0 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -86.65 0.86 53.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' C' ' 60' ' ' ASN . 0.4 OUTLIER 71.28 -1.54 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.731 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' C' ' 60' ' ' ASN . 68.6 mt -40.34 98.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 11.8 mp0 -80.21 -157.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 158.07 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 59.03 34.81 23.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 37.4 m -85.05 164.06 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.407 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -121.56 98.62 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.6 115.98 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -77.37 98.09 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.39 122.45 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.601 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.4 t -131.24 171.73 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.601 ' H ' HG12 ' C' ' 70' ' ' VAL . 29.5 mt -110.67 166.83 10.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -145.72 159.35 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -159.6 124.72 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -46.96 160.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.88 -113.78 0.66 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.785 0.326 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.1 mm -49.71 -45.76 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -47.44 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.71 -49.46 40.58 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -53.27 -45.12 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.48 58.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.0 mm -89.1 -12.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -70.11 -79.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.641 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -77.4 27.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.19 -65.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -106.59 71.19 0.22 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 87.5 p -162.47 93.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -76.69 54.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.498 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 49.9 t30 -72.59 -171.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.498 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -109.51 0.44 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -84.87 -40.74 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.295 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.63 -58.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.369 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.547 ' CD2' HD22 ' A' ' 530' ' ' LEU . 9.0 mt -78.68 -18.77 53.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.22 -10.0 64.96 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -125.51 -46.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 509' ' ' LEU . 10.8 mp -67.71 -52.79 33.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.5 tp -51.64 -59.09 8.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.81 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.81 -44.31 22.39 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.383 2.056 . . . . 0.0 111.635 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.696 HG13 HD12 ' C' ' 8' ' ' LEU . 68.7 mt -63.66 -26.77 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.314 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -94.1 3.99 54.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -143.21 7.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.597 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.7 t -58.24 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.44 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.6 OUTLIER -171.38 -75.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.74 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -137.32 87.09 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 56.1 mt -117.83 149.86 46.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 111.995 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 22.1 pt -67.17 -2.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -73.96 -32.68 63.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 74.6 m -101.77 -45.47 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.3 -43.82 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.11 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.16 -53.86 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -51.15 -53.18 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 8.5 t -44.54 -45.02 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.16 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.43 -42.0 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 506' ' ' LEU . 51.3 mt -65.9 -44.58 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.569 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -59.55 -48.97 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.662 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.9 t -72.14 -58.85 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 537' ' ' THR . 41.2 m-85 -72.94 14.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -46.99 -31.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -78.9 -79.56 0.79 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.7 t -72.92 -173.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.533 ' N ' ' OG1' ' A' ' 537' ' ' THR . 21.0 p -170.98 170.11 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 14.9 m-80 -156.84 178.79 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.72 -42.98 4.63 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.85 -31.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.662 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.4 -48.12 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.4 m -59.46 -58.96 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.8 p -41.99 -36.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 4.4 m -77.83 -60.33 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.1 OUTLIER -46.19 -28.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.361 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 13.4 mmt -74.28 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -39.08 -32.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -79.32 -48.51 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.2 m-85 -52.91 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.0 mp -67.16 -50.51 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 516' ' ' THR . 62.8 mt-10 -72.81 33.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 551' ' ' LEU . 28.3 ptt-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.422 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 561' ' ' ASP . 56.2 p-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 12.2 p-90 -158.95 -52.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.602 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.4 p -47.89 -20.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.01 -47.28 62.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.65 -46.06 89.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.5 mp -61.35 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.446 HD13 ' C ' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -61.04 -63.03 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -60.66 -70.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 51.4 tp -44.69 -22.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.8 -77.46 0.94 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 572' ' ' ILE . 10.3 tp -50.39 -24.59 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.49 -61.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -88.79 179.99 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.8 ttt -173.42 -75.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -62.16 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 53.86 -140.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 164.36 -80.37 0.12 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -47.0 -41.88 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -48.5 -50.45 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 584' ' ' VAL . 90.6 t -53.69 -53.44 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -40.01 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.31 -41.89 85.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 581' ' ' VAL . 44.6 t -60.25 -48.18 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.64 -38.47 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.49 -35.59 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.498 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 590' ' ' ALA . 7.0 m -63.17 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.515 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 13.0 tt -41.45 -30.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -82.55 -35.9 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.342 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.71 -20.42 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 591' ' ' ILE . 5.1 mm -74.22 138.67 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -43.61 149.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.453 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 33.8 m170 55.37 81.08 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.42 49.37 2.05 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.853 2.369 . . . . 0.0 112.095 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.1 tpt -67.76 -22.15 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 599' ' ' ILE . 16.9 p -62.83 -0.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 595' ' ' MET . 8.0 t -37.88 -38.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.71 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 596' ' ' THR . 11.5 mm -59.56 -47.87 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.62 -36.91 25.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.45 -27.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.0 tp -74.97 -56.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -30.35 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.26 59.74 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.0 t -69.39 -27.12 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.487 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 85.5 m -141.55 119.76 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.18 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 608' ' ' TYR . 24.8 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.0 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -89.01 129.67 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 pt -135.44 144.39 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.595 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.419 ' O ' HD12 ' B' ' 67' ' ' LEU . 97.2 m-85 -97.05 142.93 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.78 106.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -88.27 127.38 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.68 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.0 p -94.58 145.04 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.347 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.29 39.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.516 ' H ' ' C ' ' B' ' 7' ' ' THR . 76.1 p -146.63 5.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.53 76.25 1.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -173.89 116.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -102.15 126.62 49.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -114.65 136.5 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.745 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.8 m -105.46 114.6 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.23 132.96 53.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -91.86 75.1 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 11.5 m -98.25 -165.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.765 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.2 mt-10 -139.22 178.85 1.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.15 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.88 -28.25 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.835 2.357 . . . . 0.0 112.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.68 19.41 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.61 131.32 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 2.4 p -83.41 143.79 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.578 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mm -45.84 -47.71 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -50.57 -47.46 57.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 2.5 m-20 -58.29 -42.1 85.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.331 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.78 -54.45 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -50.69 -34.0 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.252 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.18 -48.94 71.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -57.35 -36.1 70.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.02 -43.01 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.06 -34.93 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.398 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' B' ' 28' ' ' ALA . 27.4 m-20 -71.88 -33.95 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -71.57 -56.96 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -95.74 -83.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 155.1 6.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 58.7 mt -75.89 112.68 21.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.648 0.261 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.97 138.14 12.49 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.664 2.243 . . . . 0.0 111.818 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.26 -62.36 0.46 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.845 2.364 . . . . 0.0 111.952 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -39.9 -34.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -96.11 60.32 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 64.6 mt-30 -155.77 114.23 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 72' ' ' ARG . 97.3 mtt180 -109.54 102.09 10.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.0 mt -88.21 125.06 34.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -116.51 140.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' B' ' 47' ' ' GLY . 86.2 t80 -163.51 160.85 23.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.439 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . 64.73 -66.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 178.62 13.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -152.65 -174.01 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -93.92 154.16 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.4 129.22 39.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -80.13 150.67 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.603 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -77.43 99.45 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 152.52 -61.33 0.39 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.409 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 40.9 mmt-85 -46.33 169.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -112.57 163.09 14.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 64.7 mt -67.49 -2.99 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -93.6 -14.27 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.615 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -83.15 -34.46 26.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -89.04 13.52 12.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 m120 55.32 29.35 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -76.91 104.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.67 -157.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.26 159.96 24.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.662 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.6 34.09 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -89.71 123.92 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.4 m -95.44 103.11 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.492 ' H ' HD12 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -102.47 143.76 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -87.06 157.83 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.333 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.754 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -144.88 122.31 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.679 ' N ' HD23 ' B' ' 69' ' ' LEU . 11.6 t -119.14 117.69 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.389 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.544 ' H ' HD23 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -90.63 133.82 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.64 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 42' ' ' ARG . 83.6 mtt180 -66.42 85.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 12.5 mt 58.79 170.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.04 120.47 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.05 -74.35 1.14 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.828 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -113.33 116.89 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.84 153.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.705 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -112.05 154.24 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -130.16 103.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.126 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -92.17 134.88 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.754 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 7.1 p -103.93 158.97 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 512' ' ' ILE . 4.4 mm? -71.06 50.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.514 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 62.6 p -151.6 1.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.74 77.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -83.95 151.48 25.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -141.11 136.76 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.48 125.36 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -96.03 119.99 35.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.63 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -88.17 125.89 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -143.28 -171.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.9 mt-10 -134.22 176.04 3.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.212 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.33 -25.26 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.788 2.325 . . . . 0.0 112.009 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -87.63 -5.06 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.699 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 8.5 m-20 -66.64 135.75 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.617 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.7 p -89.69 153.42 20.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.746 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -53.69 -46.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.384 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -53.35 -41.03 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 2.9 m-20 -62.43 -46.59 87.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.246 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.66 -51.89 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.264 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -52.12 -36.25 50.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.124 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -62.81 -45.76 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -59.88 -37.5 79.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -68.02 -31.22 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.36 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 44.9 tp60 -70.04 -34.7 73.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.46 -24.29 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -86.27 -67.18 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -78.41 -90.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.55 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.528 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 53.4 mt -88.08 108.86 23.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.654 0.264 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.47 137.26 11.42 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.65 2.233 . . . . 0.0 111.905 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -53.72 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.789 2.326 . . . . 0.0 111.974 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.44 -0.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.739 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.521 ' H ' ' C ' ' C' ' 38' ' ' PRO . 15.6 mm100 -126.46 50.33 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.1 mt-30 -147.97 168.72 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' C' ' 42' ' ' ARG . 3.3 tpm_? -162.86 114.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.3 114.5 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.534 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.406 HG21 HD13 ' C' ' 44' ' ' ILE . 3.2 mt -112.68 142.56 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -147.68 125.83 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.15 33.51 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.05 37.12 50.25 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -140.91 115.14 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -78.11 134.09 37.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.14 126.77 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -76.65 158.12 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.24 99.29 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.21 -57.94 0.45 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -45.27 169.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -112.92 163.22 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.8 -8.11 26.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.4 p -87.6 -25.77 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.41 -41.24 80.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -86.09 11.18 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.431 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 55.86 20.36 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.95 99.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -81.28 -172.46 3.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.3 160.18 32.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.48 29.81 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -91.58 110.32 21.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.33 131.04 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -82.28 101.66 10.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -83.97 127.46 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.427 ' C ' HD22 ' C' ' 71' ' ' LEU . 0.2 OUTLIER -145.3 172.28 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.533 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.8 mm? -95.74 167.36 11.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.377 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -136.79 162.41 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -175.99 110.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -66.41 152.7 44.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.47 148.99 8.4 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.21 -16.51 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -77.77 -68.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.75 99.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.1 tp -58.4 -46.17 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.566 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.41 -37.32 65.72 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 495' ' ' ILE . 68.1 mt -91.91 -8.46 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -71.14 -68.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.513 ' C ' ' H ' ' A' ' 499' ' ' GLY . 50.1 p90 -74.26 23.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -57.97 -2.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -70.09 -127.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.0 t -84.17 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.315 . . . . 0.0 110.535 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -160.8 92.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -57.21 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -172.8 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -75.31 -23.7 57.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.507 HG11 ' CD2' ' A' ' 497' ' ' PHE . 1.3 t -52.77 -65.19 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.323 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.419 HD21 ' CE1' ' A' ' 534' ' ' PHE . 7.2 mt -71.54 -20.12 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -74.58 -6.87 78.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 36.8 tp -128.06 -48.92 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 509' ' ' LEU . 11.2 mp -68.03 -45.15 74.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 2.7 tp -59.19 -58.82 16.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.22 -42.46 21.77 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.466 2.111 . . . . 0.0 111.586 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.72 -34.84 66.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.17 18.72 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.9 26.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.1 OUTLIER -72.71 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.404 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.43 ' N ' ' OG ' ' A' ' 515' ' ' SER . 0.5 OUTLIER -170.93 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 6.8 p-10 -158.52 -95.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 14.9 mt 59.32 147.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.13 169.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.776 2.317 . . . . 0.0 111.953 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.2 mt -96.98 -50.98 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.56 -36.73 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.617 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 20.6 p -72.91 -68.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.34 -31.52 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.35 -66.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.7 tpt -46.45 -39.47 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.58 -59.5 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 56.3 p -46.21 -36.46 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -58.97 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.25 89.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 530' ' ' LEU . 0.2 OUTLIER -45.14 -53.64 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -66.55 -50.95 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -41.62 -54.86 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.1 t -67.54 -56.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.419 ' CE1' HD21 ' A' ' 506' ' ' LEU . 38.2 m-85 -76.89 27.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.458 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.4 p -64.89 -36.63 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -60.56 -90.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.9 t -67.86 -169.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 42.6 t -167.83 171.96 9.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.551 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 68.8 m-80 -160.44 165.12 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.23 -35.85 28.94 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -47.4 -42.81 22.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.59 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.43 -43.15 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 86.9 m -65.48 -66.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 80.5 p -39.99 -35.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.427 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 11.5 m -76.21 -55.88 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.314 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -32.21 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.403 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -68.18 -57.72 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -40.65 -38.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -48.7 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -47.46 -53.33 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.442 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.7 mp -56.57 -42.19 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.506 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -87.4 30.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.772 0.32 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.491 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 8.6 p-90 -156.07 -50.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.465 HG23 ' CE2' ' A' ' 562' ' ' TRP . 20.3 t -42.05 -44.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 69.9 mtp180 -45.68 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -40.29 -62.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.7 mp -43.46 -27.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.512 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 568' ' ' LEU . 11.0 mp -50.98 -45.64 61.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.64 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.9 tp -43.66 -25.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.542 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.21 -70.35 1.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 572' ' ' ILE . 66.2 mt -64.66 -8.92 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.52 -20.8 14.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -116.52 162.12 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 77.6 mtp -83.35 22.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 83.92 -71.01 3.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.12 143.14 34.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 142.33 116.06 1.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -45.97 -25.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -44.73 -48.47 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.83 -44.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -47.35 -43.82 23.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.98 -48.15 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 65.0 t -44.65 -53.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 53.0 mt -57.13 -47.75 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.69 -36.05 34.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 590' ' ' ALA . 13.6 m -63.69 -51.54 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 95.1 mt -48.85 -28.7 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 39.5 t -81.01 -26.54 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -74.3 -26.39 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.3 tp -102.66 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 591' ' ' ILE . 36.2 mt-10 -53.73 -110.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.7 OUTLIER 39.83 75.72 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.21 10.45 1.78 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.011 2.474 . . . . 0.0 111.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.3 mmt -95.58 -33.62 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.2 p -63.27 -13.89 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.4 p -43.18 -44.29 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.13 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.22 -40.21 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -55.04 -34.46 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.34 -51.81 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 602' ' ' LEU . 18.1 mt -47.46 -69.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.584 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 7.3 t -54.67 -28.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.2 -54.89 32.46 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 11.2 t -64.48 -68.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 69.1 m -82.25 118.92 23.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.18 -82.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.575 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -96.17 115.82 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.07 148.44 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.426 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 78.6 m-85 -105.08 129.98 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.11 99.83 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -76.85 119.92 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.658 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -91.66 141.95 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.596 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -64.9 -28.58 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.439 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -64.5 -36.47 84.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.75 70.54 0.2 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -175.94 122.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.6 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -97.73 111.82 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -96.34 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 3.4 m -101.06 122.88 44.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.184 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -126.5 137.61 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -86.53 112.75 21.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.8 -178.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 1.1 mt-10 -126.82 176.94 2.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.258 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.92 -26.29 11.24 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.762 2.308 . . . . 0.0 112.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.13 -0.46 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.4 m-20 -71.01 134.82 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -87.52 146.87 25.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.0 mm -48.37 -59.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -43.83 -36.01 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.76 -47.18 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.194 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.91 -47.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.24 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -54.97 -36.18 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.19 -50.91 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.86 -40.72 69.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.356 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -63.1 -48.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.51 -38.81 60.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.491 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -75.22 -62.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -85.45 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 173.87 6.18 0.03 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 33.7 mt -79.81 132.01 62.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.607 0.241 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.71 143.23 33.44 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.629 2.219 . . . . 0.0 111.961 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.688 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.37 -50.56 10.05 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.865 2.377 . . . . 0.0 111.959 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 39' ' ' ASP . 0.8 OUTLIER -62.49 21.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.688 ' H ' ' C ' ' B' ' 38' ' ' PRO . 62.8 mt-30 -153.23 46.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -146.58 133.17 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -126.2 108.54 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.88 115.2 27.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.22 142.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' B' ' 47' ' ' GLY . 72.2 t80 -167.51 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 48' ' ' LYS . . . -69.27 57.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 61.94 -4.94 0.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' B' ' 46' ' ' ALA . 34.6 mtpt -153.21 -166.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.65 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -92.99 145.41 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.31 131.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.72 158.65 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -75.88 125.27 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 125.36 -62.64 0.59 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.7 mmt180 -42.98 168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 57' ' ' SER . 21.4 p -116.83 157.76 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.01 -0.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.486 ' H ' ' C ' ' B' ' 55' ' ' THR . 3.8 t -94.48 -35.95 12.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -38.92 88.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -87.0 4.81 40.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 60.0 26.57 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.651 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.5 97.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' B' ' 65' ' ' SER . 36.4 mt-30 -72.55 -159.02 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -87.7 162.13 17.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 30.05 17.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.784 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 62' ' ' GLN . 1.4 m -83.01 131.85 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.37 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -94.78 105.24 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.27 174.89 7.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.427 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.43 100.87 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -85.59 132.84 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.03 106.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.654 HD23 ' N ' ' B' ' 71' ' ' LEU . 1.4 pt? -75.89 164.81 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -69.47 -109.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.456 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.427 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 42.1 mt -133.22 129.69 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -50.76 152.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.8 -98.79 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.931 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.43 ' SD ' ' C ' ' C' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.21 110.45 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -106.5 153.2 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -109.84 153.19 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.692 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -131.95 101.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.22 136.78 33.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.411 ' O ' ' N ' ' C' ' 9' ' ' THR . 53.7 p -102.01 142.04 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.83 64.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.411 ' N ' ' O ' ' C' ' 7' ' ' THR . 7.2 m -166.2 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.15 68.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -173.02 131.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -116.75 119.71 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.414 HD13 HG21 ' C' ' 13' ' ' ILE . 1.4 mt -101.48 124.75 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.692 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 35.4 m -92.4 126.24 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.26 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.84 130.94 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.79 119.7 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.214 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.4 m -140.15 -161.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.43 ' C ' ' SD ' ' C' ' 1' ' ' MET . 1.6 mt-10 -143.73 175.4 2.86 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.85 11.36 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.744 2.296 . . . . 0.0 112.111 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.84 2.59 53.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.69 137.56 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -87.49 142.74 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -48.23 -50.6 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.09 -37.44 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -65.19 -43.99 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.295 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.59 -50.05 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ1' ' HA ' ' C' ' 42' ' ' ARG . 62.4 mttm -53.12 -41.49 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.253 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.83 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.261 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.25 -41.09 92.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.298 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.11 -38.91 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.82 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.78 -27.96 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -78.59 -63.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.0 -102.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.28 8.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.437 ' H ' ' H ' ' C' ' 35' ' ' GLY . 51.7 mt -82.11 129.97 61.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.68 0.276 . . . . 0.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.59 143.63 34.5 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.597 2.198 . . . . 0.0 111.939 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' C' ' 39' ' ' ASP . 2.7 Cg_endo -46.07 -67.04 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.846 2.364 . . . . 0.0 112.17 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' C' ' 38' ' ' PRO . 6.8 m-20 -35.41 -41.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.91 -45.06 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' C' ' 38' ' ' PRO . 73.3 mt-30 -46.37 168.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.451 ' HA ' ' HZ1' ' C' ' 27' ' ' LYS . 6.5 tpp180 -170.08 99.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 mt -83.15 122.97 29.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.46 HD12 HG21 ' C' ' 70' ' ' VAL . 8.5 mt -122.74 132.73 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' C' ' 48' ' ' LYS . 70.5 t80 -132.58 135.83 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' C' ' 48' ' ' LYS . . . 44.15 43.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.52 -13.12 1.69 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.9 mtpm? -85.59 110.34 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -70.57 126.14 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.49 141.65 34.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -101.32 159.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.576 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.91 145.39 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 105.18 -58.67 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 53' ' ' GLY . 15.8 mmt180 -47.62 177.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.595 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -121.19 163.77 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.84 -7.23 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -88.72 -39.12 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.0 -39.19 71.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.21 -3.51 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.65 17.51 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.53 97.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -73.75 -172.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.86 159.32 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 60.65 28.94 18.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.1 m -84.75 126.87 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -88.29 100.0 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.4 125.23 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.23 107.48 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.44 129.34 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.606 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.6 t -141.63 174.95 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.604 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.606 ' H ' HG12 ' C' ' 70' ' ' VAL . 24.4 mt -113.73 149.68 34.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -108.18 158.82 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -173.21 98.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -69.31 176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.82 -148.72 5.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.798 0.332 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . 0.427 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.0 mm -47.51 -46.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 34.9 tp -50.87 -45.96 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.12 -56.07 23.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.6 mp -47.96 -48.1 32.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.52 -37.6 26.49 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 495' ' ' ILE . 67.3 mt -82.73 -12.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.28 -53.08 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . 0.491 ' C ' ' H ' ' A' ' 499' ' ' GLY . 13.5 m-85 -57.07 -20.92 27.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -65.85 5.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -87.38 -97.66 0.88 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.8 t -94.89 -18.94 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 6.3 ttpm? 58.64 80.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.506 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.517 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 5.9 t-20 -86.43 -166.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.517 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 24.8 t70 -99.33 6.87 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.77 -33.09 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 110.153 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.48 ' H ' HG23 ' A' ' 505' ' ' VAL . 1.9 t -47.88 -62.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.29 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.1 mp -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.78 -9.93 57.21 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 33.8 tp -129.41 -44.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.5 -52.25 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.621 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.4 tp -50.0 -59.87 6.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.857 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.621 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.6 -51.81 8.41 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.45 2.1 . . . . 0.0 111.614 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.19 -23.11 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.88 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.594 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -168.4 24.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.7 OUTLIER -69.95 -48.29 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.41 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.444 ' HG1' ' C ' ' A' ' 515' ' ' SER . 2.8 m -169.93 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -173.9 31.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.72 151.11 1.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.78 150.2 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.794 2.329 . . . . 0.0 111.932 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 520' ' ' ILE . 67.9 mt -69.28 -4.36 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.71 -78.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 522' ' ' THR . 0.1 OUTLIER -58.82 -39.8 82.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.02 -55.83 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.08 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 528' ' ' LEU . 21.6 mmt -41.82 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -42.87 -58.08 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -51.5 -30.33 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -58.69 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.11 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.0 tt -56.28 -68.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.4 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -44.84 -45.09 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 89.3 t -76.37 -64.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 506' ' ' LEU . 20.8 m-85 -73.21 29.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.1 p -54.18 -29.12 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -96.86 -74.78 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -59.48 109.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.557 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.79 -178.26 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 52.3 t-20 -171.53 151.77 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.6 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -65.68 -45.48 88.86 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . 0.493 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 59.3 m-20 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.512 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.81 -51.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 544' ' ' THR . 61.6 m -60.85 -67.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 543' ' ' THR . 50.8 p -38.13 -44.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' B' ' 73' ' ' LEU . 11.2 m -67.13 -52.62 39.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -26.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -68.37 -49.1 62.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.43 -43.21 67.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.62 -34.35 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.79 -30.81 61.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 553' ' ' ARG . 1.1 tt -62.38 -55.37 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -74.01 21.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 551' ' ' LEU . 47.1 ttp85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.401 ' H ' ' H ' ' A' ' 563' ' ' VAL . 12.6 p-90 179.09 -6.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.401 ' H ' ' H ' ' A' ' 562' ' ' TRP . 21.9 t -61.56 -16.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -66.66 -75.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -48.92 -43.34 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.29 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.74 -51.99 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 571' ' ' GLY . 15.8 tp -46.01 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -41.4 -71.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.01 -21.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 568' ' ' LEU . . . -80.72 -74.18 1.14 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 pt -58.28 -11.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.85 -66.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.5 121.75 16.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 75.1 mtp -50.78 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -168.77 53.69 0.21 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -67.49 -140.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -161.95 -72.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.36 -28.8 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.514 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.3 -45.66 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.8 -48.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.08 -39.62 28.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.88 -44.65 84.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.77 -59.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.71 -46.39 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . 0.493 ' OE1' ' ND1' ' B' ' 68' ' ' HIS . 4.6 tm-20 -57.59 -36.9 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' B' ' 68' ' ' HIS . 26.8 m -65.78 -53.17 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -46.99 -29.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 68.8 m -75.5 -39.99 57.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -62.84 -14.64 48.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 69.6 mt -103.34 78.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 55.86 -139.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.6 OUTLIER -169.73 73.31 0.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.649 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.64 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.964 2.443 . . . . 0.0 112.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 52.8 mtp -84.41 18.93 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -74.82 -13.64 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 30.2 t -41.96 -45.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.53 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.38 -33.56 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -59.04 -38.47 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.01 -32.11 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -62.19 -67.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.26 -30.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.79 -51.92 54.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 79.8 p -54.8 -46.13 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 11.2 t -79.64 119.86 23.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 173.53 -174.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.439 ' O ' ' OE1' ' B' ' 64' ' ' GLU . 78.0 mt-30 -91.13 106.6 18.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -101.02 150.42 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.41 140.42 37.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.67 102.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.251 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -83.93 119.26 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -91.58 142.17 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.568 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -59.09 -24.52 63.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.501 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -77.23 0.81 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.28 79.35 0.99 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -172.6 113.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.7 m -94.28 118.54 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.9 136.85 43.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.642 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -104.87 121.08 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.5 133.93 47.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -81.51 124.73 29.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.449 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 m -147.59 176.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.656 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 21.1 mt-10 -133.3 152.78 80.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.337 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 -34.54 10.01 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.889 2.392 . . . . 0.0 112.188 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -35.09 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.712 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.656 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.0 m-20 -42.54 138.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 25' ' ' ASN . 5.4 p -93.77 140.46 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mm -41.53 -49.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -52.61 -39.81 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' B' ' 22' ' ' THR . 21.9 t-20 -61.66 -45.92 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.07 -50.81 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -49.91 -42.11 47.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.91 92.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.38 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -56.14 -41.86 76.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.88 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.69 -32.34 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -76.32 -30.08 57.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -76.16 -61.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.08 -79.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.495 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.85 -0.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -70.9 126.52 92.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.37 142.06 32.81 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.588 2.192 . . . . 0.0 111.898 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.538 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.9 Cg_endo -46.22 -56.63 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.799 2.332 . . . . 0.0 111.995 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.13 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.538 ' H ' ' C ' ' B' ' 38' ' ' PRO . 80.3 mm-40 -127.14 65.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.537 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -151.73 152.19 32.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -145.56 102.12 3.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.519 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 14.1 mt -97.26 128.02 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.402 HG22 ' HB1' ' A' ' 590' ' ' ALA . 26.7 mt -123.54 141.9 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.652 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.4 t80 -130.75 177.39 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.652 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -33.76 -38.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -75.85 -90.13 0.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 49.7 tttt -153.61 -141.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 9.2 tp-100 -84.21 132.49 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.457 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.71 125.74 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -83.5 159.78 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.92 159.82 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.14 -59.97 4.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 53' ' ' GLY . 11.5 mmt180 -42.86 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.603 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.513 ' C ' ' H ' ' B' ' 57' ' ' SER . 30.8 p -116.43 158.48 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.49 2.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.513 ' H ' ' C ' ' B' ' 55' ' ' THR . 38.4 t -96.38 -29.4 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -72.08 4.66 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -131.49 8.37 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 55.98 24.77 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.653 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.92 102.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -83.2 -162.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -80.54 157.38 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 2' ' ' GLN . 5.7 mm-40 60.1 25.73 15.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -82.05 131.67 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.11 121.41 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.22 120.69 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.493 ' ND1' ' OE1' ' A' ' 586' ' ' GLU . 0.2 OUTLIER -76.12 104.19 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.77 134.85 36.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.37 140.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.639 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.6 mp -83.68 134.38 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.522 ' HE ' ' NE2' ' B' ' 40' ' ' GLN . 54.5 ttm-85 -42.7 -66.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 545' ' ' SER . 56.3 tp -174.3 88.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.493 ' NH2' ' OD1' ' A' ' 541' ' ' ASP . 35.0 ttp85 -93.03 81.88 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.89 -119.27 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 117.949 -1.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.558 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -114.38 107.36 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.38 152.75 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.409 ' CE1' HG23 ' C' ' 14' ' ' THR . 93.3 m-85 -111.68 149.71 31.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.25 103.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.319 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -83.38 147.14 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' C' ' 9' ' ' THR . 15.3 p -125.6 146.74 49.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -70.77 42.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' C' ' 7' ' ' THR . 49.2 p -151.47 33.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.61 71.73 0.65 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -169.61 126.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 11.8 m -121.41 115.6 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.411 HG21 HD13 ' C' ' 13' ' ' ILE . 3.1 mt -96.09 134.71 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.409 HG23 ' CE1' ' C' ' 4' ' ' PHE . 4.2 m -100.73 125.79 47.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.388 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -130.46 132.01 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.745 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.03 123.03 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.558 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -145.53 -174.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.651 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 7.0 mt-10 -138.76 147.79 55.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.294 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.8 -14.16 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.833 2.355 . . . . 0.0 112.252 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -92.69 -23.96 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.651 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -49.32 141.29 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.343 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.483 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.0 p -95.93 134.96 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.7 mm -35.57 -56.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -46.74 -43.89 18.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' C' ' 22' ' ' THR . 0.4 OUTLIER -59.68 -43.76 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -51.29 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.154 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -52.53 -33.39 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.69 -46.98 73.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.378 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -59.1 -35.69 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 mt -68.91 -45.95 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -57.71 -31.5 66.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -75.96 -32.12 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -73.96 -51.85 14.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -97.99 -107.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.33 18.99 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.469 HG22 ' O ' ' C' ' 40' ' ' GLN . 10.4 mt -94.15 103.28 10.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.28 147.35 2.45 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.587 2.192 . . . . 0.0 111.849 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.98 -67.38 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.829 2.352 . . . . 0.0 112.06 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' C' ' 40' ' ' GLN . 6.6 p30 -42.47 -29.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . 0.481 ' N ' ' OD1' ' C' ' 39' ' ' ASP . 59.6 mm-40 -95.09 53.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 64.4 mt-30 -154.06 161.76 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 66.8 ttt180 -158.55 104.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.75 131.07 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.594 HD12 HG21 ' C' ' 70' ' ' VAL . 58.3 mt -128.14 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -142.41 128.89 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.32 10.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.65 40.22 15.69 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -147.06 125.21 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 13.5 tt0 -70.89 135.94 48.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.81 117.94 29.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -72.59 157.98 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -83.3 163.89 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.09 -33.63 3.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -77.06 169.88 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' C' ' 58' ' ' ASP . 22.9 p -108.97 164.25 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' C' ' 17' ' ' VAL . 86.6 mt -60.17 -35.6 75.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -66.62 -18.3 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' OG1' ' C' ' 55' ' ' THR . 8.2 m-20 -77.67 4.03 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.637 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -133.63 12.66 4.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 64.48 9.31 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.78 99.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.65 -158.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.676 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -85.71 159.09 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 53.86 30.16 11.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 43.1 m -78.53 129.95 35.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 30.4 m -89.84 99.23 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -80.98 168.61 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -121.78 103.03 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.3 135.1 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.594 HG21 HD12 ' C' ' 44' ' ' ILE . 2.9 t -142.08 153.84 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -110.82 104.63 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.7 179.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp -171.35 147.15 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -56.29 161.43 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.26 -143.07 3.56 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 97.2 mt -50.11 -23.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -57.15 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.5 -30.58 56.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.08 -51.45 64.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.54 -34.64 49.84 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 76.3 mt -76.11 -20.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.91 -39.64 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.55 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -100.39 41.48 2.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 6.4 t -161.52 -66.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.1 tttt 65.74 65.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.8 t-20 -91.59 -168.49 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.654 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 2.8 p-10 -106.66 -12.49 15.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -78.27 -20.26 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.268 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 505' ' ' VAL . 1.8 t -55.7 -45.67 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.48 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 530' ' ' LEU . 3.6 mt -90.43 -18.97 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.71 -11.95 69.81 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.37 -44.12 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 110.672 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 509' ' ' LEU . 87.6 mt -70.51 -54.88 10.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.2 tp -47.42 -58.65 6.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.421 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.68 -50.33 11.76 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.417 2.078 . . . . 0.0 111.455 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ILE . . . . . 0.827 ' O ' HD22 ' A' ' 518' ' ' LEU . 60.9 mt -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.234 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -111.89 18.04 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.425 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ALA . . . . . 0.416 ' O ' HD11 ' B' ' 73' ' ' LEU . . . 178.86 70.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.488 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 52.0 p -148.8 12.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 73.92 104.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 35.1 t0 62.81 115.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.424 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 512' ' ' ILE . 0.8 OUTLIER -167.14 156.84 9.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.8 Cg_endo -44.07 129.98 8.1 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.91 2.407 . . . . 0.0 112.029 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ILE . . . . . 0.427 ' H ' HG22 ' A' ' 520' ' ' ILE . 8.6 tt -79.93 -13.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 523' ' ' ALA . 30.1 mt-10 -74.08 -74.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.626 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 526' ' ' ALA . 80.2 p -64.39 2.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 519' ' ' PRO . . . -69.24 -68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -62.75 -55.6 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.6 mtt -43.28 -44.84 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 522' ' ' THR . . . -57.99 -59.74 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 28.5 p -48.92 -15.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -78.48 -58.06 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.93 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.654 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 506' ' ' LEU . 95.8 mt -72.34 -75.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -39.65 -41.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.73 -49.45 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' A' ' 535' ' ' VAL . 74.7 t -76.54 -59.42 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.649 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 15.9 m-85 -67.52 10.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.0 p -45.82 -41.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -75.0 -54.28 5.83 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 47.3 p -68.1 -172.8 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 13.6 t -173.86 137.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 10.7 m120 -149.12 129.89 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -54.71 -36.96 60.29 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -46.21 -40.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.27 -46.01 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 16.5 m -63.86 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.5 p -42.18 -35.0 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.7 m -74.84 -50.94 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.322 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -36.39 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.0 tpt -66.01 -42.22 89.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.458 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.15 -42.86 63.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 553' ' ' ARG . 2.8 t-20 -63.87 -52.36 60.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -41.47 -31.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.24 -63.53 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 1.1 mm-40 -81.69 18.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 549' ' ' ASN . 13.6 tpt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' TRP . . . . . 0.4 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 57.0 p-90 -165.03 -41.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' VAL . . . . . 0.4 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 7.4 p -54.29 -25.42 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -63.6 -71.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -55.65 -48.84 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.37 -48.35 62.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.42 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.02 -48.99 77.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -61.76 -75.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 46.8 tp -42.63 -21.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.93 -75.81 0.93 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.04 -28.99 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.5 tp -44.58 -52.58 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.11 101.6 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -85.47 -31.62 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.88 177.16 52.22 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -150.51 119.53 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.27 -168.78 35.58 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -49.66 -35.34 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -42.72 -39.29 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.38 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.9 OUTLIER -42.77 -44.48 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.84 -48.79 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.4 t -46.68 -54.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.82 -51.06 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.52 -34.92 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 590' ' ' ALA . 8.1 m -68.07 -52.03 39.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.1 mt -46.64 -27.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.7 t -80.12 -35.08 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.55 -25.41 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 44.1 mt -95.43 146.05 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.67 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.1 t60 54.25 77.38 0.44 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.79 15.12 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.904 2.403 . . . . 0.0 111.973 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' MET . . . . . 0.454 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.0 tpt -73.65 -29.46 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.482 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 599' ' ' ILE . 39.0 p -59.65 -3.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.7 t -42.82 -32.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.79 -39.44 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 596' ' ' THR . 76.7 mt -69.7 -25.82 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.19 -39.13 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.62 -52.71 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.37 -69.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.64 -45.85 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.45 -42.82 57.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 t -65.27 -44.94 86.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 28.1 t -80.3 120.22 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.22 173.21 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 17' ' ' VAL . 20.9 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -85.53 106.44 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -112.73 152.2 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.495 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -104.4 153.77 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.68 104.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -88.96 131.85 34.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.437 ' C ' ' H ' ' B' ' 9' ' ' THR . 17.9 p -100.21 143.72 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.468 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.465 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -64.28 -0.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 7' ' ' THR . 51.7 p -91.95 -34.89 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.2 71.21 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -174.74 137.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -113.72 120.02 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.556 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.38 140.61 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -110.63 123.58 50.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.21 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -126.85 137.44 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.19 109.78 21.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.4 m -131.6 -168.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.755 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.646 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 10.9 mt-10 -142.07 150.2 55.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.329 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.65 -42.69 18.93 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.049 2.499 . . . . 0.0 112.572 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.3 t -72.58 -5.18 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.319 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.646 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.5 m-20 -67.7 137.7 55.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.658 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -87.37 139.37 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -45.41 -48.05 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.355 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -50.92 -44.64 60.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.219 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.505 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 10.5 t-20 -59.66 -40.49 87.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.269 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.23 -48.31 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -53.52 -41.14 66.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.177 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.35 97.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 55.1 mttp -58.18 -45.14 88.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.406 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.36 -39.21 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -60.16 -40.48 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.28 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -73.69 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.32 -88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.06 16.84 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 15.8 mt -80.36 112.33 29.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.66 0.267 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.45 134.15 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.568 2.179 . . . . 0.0 111.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.3 -39.72 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.674 2.25 . . . . 0.0 111.989 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.4 15.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' B' ' 38' ' ' PRO . 18.1 mt-30 -147.74 55.78 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 72.2 mt-30 -149.09 93.7 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -89.89 104.31 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -98.91 130.9 45.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.403 HG21 HD13 ' B' ' 44' ' ' ILE . 11.5 mt -131.18 141.02 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 57.6 t80 -131.71 170.89 14.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.678 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -31.65 -50.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.28 -88.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -152.86 -143.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.305 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.07 133.89 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.07 102.63 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.79 158.63 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.46 172.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 72.18 -71.05 1.0 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLY . 14.4 mmt180 -40.93 164.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -114.15 166.97 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.2 mt -63.5 -16.39 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' B' ' 59' ' ' TYR . 26.4 p -76.35 -33.61 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.51 16.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' B' ' 57' ' ' SER . 73.3 m-85 -138.94 1.75 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.402 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 2.5 m120 62.8 26.11 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.689 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 107.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.401 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -87.32 -159.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -86.68 161.24 18.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 56.63 25.61 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.74 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -77.89 166.63 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.396 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -122.46 102.33 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.659 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -87.02 161.4 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -119.94 105.22 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.461 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -89.0 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.5 t -149.32 106.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.493 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.755 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.8 pt? -85.21 147.78 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -67.17 -177.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 514' ' ' ALA . 17.3 mt -53.9 120.28 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -47.73 151.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.67 75.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.025 -1.43 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -101.32 112.34 24.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -104.07 152.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -107.28 153.72 22.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -129.1 100.69 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.232 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -83.69 133.14 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.727 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p -83.88 -138.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.82 38.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -152.86 -27.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.68 70.89 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -171.85 137.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.561 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -131.39 109.18 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.59 139.43 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' THR . . . . . 0.562 ' C ' HD12 ' C' ' 15' ' ' LEU . 2.9 m -103.31 112.91 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.329 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.562 HD12 ' C ' ' C' ' 14' ' ' THR . 10.4 mp -115.47 128.19 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.827 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.11 113.72 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.1 m -136.34 -175.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . 0.632 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -135.44 178.99 1.5 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.117 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.62 -25.2 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.749 2.299 . . . . 0.0 112.229 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.1 p -89.17 -5.46 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . 0.632 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -66.24 139.0 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -90.26 139.55 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.51 -51.63 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.298 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.95 -42.93 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.276 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 2.7 t30 -59.88 -48.02 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.44 -49.02 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.193 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.49 -33.11 59.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.208 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.17 -47.86 72.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.405 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.12 -38.02 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.21 -39.81 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.458 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.25 -37.77 84.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.411 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.51 -27.45 63.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.518 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -77.04 -56.29 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -96.77 -93.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.26 12.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 18.4 mt -79.76 111.54 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.632 0.253 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.63 138.07 14.87 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.53 2.154 . . . . 0.0 111.79 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.41 -39.14 21.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.736 2.29 . . . . 0.0 111.957 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.24 -58.08 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.697 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -58.41 -42.2 86.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.657 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.561 ' O ' ' NH1' ' C' ' 42' ' ' ARG . 76.4 mt-30 -44.58 151.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.619 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ARG . . . . . 0.561 ' NH1' ' O ' ' C' ' 41' ' ' GLN . 6.4 tpp180 -149.84 106.65 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -94.58 120.62 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -125.52 127.79 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -138.66 148.23 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.6 37.57 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.47 44.94 95.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -157.06 131.16 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.57 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -72.69 135.18 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.76 132.83 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.04 158.66 19.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -78.9 158.1 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 88.5 -60.96 3.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.1 mmt180 -42.61 169.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.493 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.9 p -117.4 157.97 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.72 0.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . 0.493 ' H ' ' C ' ' C' ' 55' ' ' THR . 7.0 t -97.31 -10.74 25.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -86.91 -38.84 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -83.54 2.18 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 68.66 8.71 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -53.01 113.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.29 -162.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -86.02 158.21 19.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 55.7 32.75 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -83.85 141.91 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -89.86 107.62 19.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.38 114.39 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.77 108.0 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.473 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -91.87 129.28 37.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.539 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.572 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.9 t -141.01 172.5 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.572 ' H ' HG12 ' C' ' 70' ' ' VAL . 9.5 mp -100.03 166.97 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -135.29 157.91 45.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.422 ' C ' HD23 ' C' ' 73' ' ' LEU . 1.7 tt -171.58 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ptt-85 -44.58 157.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.46 127.51 0.89 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 483' ' ' THR . 0.0 OUTLIER -59.81 98.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -171.6 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.6 tt -57.37 -30.36 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 43.4 m -58.31 -50.79 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 36.9 m -52.87 -33.16 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.49 61.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -75.98 -71.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 9.1 mm -43.98 -32.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.98 -56.29 14.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.1 -56.33 23.74 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 496' ' ' ALA . 11.0 mp -45.88 -57.6 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -43.99 -36.78 3.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.29 -16.99 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.667 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 493' ' ' LEU . . . -67.52 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -79.1 27.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -43.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.01 89.81 0.59 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 21.5 p -165.25 -40.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.337 . . . . 0.0 110.571 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 501' ' ' LYS . 24.9 mtmm 55.48 57.6 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.531 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.623 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.3 OUTLIER -76.21 -150.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.623 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 17.1 m-20 -123.02 -24.67 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.37 -17.76 61.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.217 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 505' ' ' VAL . 0.6 OUTLIER -65.88 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.9 mp -64.39 -10.36 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.348 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.77 67.86 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 508' ' ' LEU . 0.8 OUTLIER -102.0 -28.53 12.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.87 -45.64 88.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.678 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.546 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 6.4 mt -48.13 -66.05 0.64 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.649 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 510' ' ' LEU . 2.8 Cg_endo -46.0 -53.5 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.68 2.253 . . . . 0.0 111.734 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.417 ' O ' HD22 ' A' ' 518' ' ' LEU . 4.5 mm -42.62 -31.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -132.73 36.85 3.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -157.37 -33.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.564 ' O ' ' OG1' ' A' ' 516' ' ' THR . 0.6 OUTLIER -38.28 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.633 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.564 ' OG1' ' O ' ' A' ' 515' ' ' SER . 4.9 m -172.23 98.09 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.736 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 516' ' ' THR . 13.9 t70 52.61 113.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.686 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.521 ' O ' ' NH1' ' A' ' 553' ' ' ARG . 4.0 mp -137.58 148.04 59.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.48 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.8 Cg_endo -44.76 121.74 3.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.858 2.372 . . . . 0.0 111.954 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 520' ' ' ILE . 68.9 mt -55.92 -6.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 519' ' ' PRO . 39.6 tp10 -64.09 -54.32 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 38.2 m -99.4 -32.32 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.622 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -42.96 -65.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -55.28 -65.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.6 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 36.8 mtt -39.87 -67.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.587 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -40.0 -62.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 27.1 t -41.58 -50.92 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.8 tt -48.61 -61.64 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.55 -49.95 25.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 530' ' ' LEU . 1.5 tt -44.42 -57.97 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -64.44 -39.04 93.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.9 -53.06 10.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 535' ' ' VAL . 69.1 t -70.08 -63.42 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.512 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -75.84 31.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.526 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.1 p -62.13 -33.2 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.633 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -73.71 -81.63 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 2.6 t -67.92 -171.2 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.521 ' N ' ' OG1' ' A' ' 537' ' ' THR . 28.2 p -173.08 -177.33 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -167.16 170.4 11.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -75.62 -53.17 6.07 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -39.54 -45.67 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.545 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.95 -52.35 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.425 HG21 ' OH ' ' A' ' 574' ' ' TYR . 12.1 m -62.35 -63.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.9 p -40.18 -36.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 548' ' ' ASP . 8.0 m -76.44 -66.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.249 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -39.68 -30.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 545' ' ' SER . 4.0 tpt -72.55 -47.9 44.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 545' ' ' SER . 78.6 m-20 -48.05 -37.51 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 552' ' ' GLU . 0.5 OUTLIER -69.65 -52.41 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.459 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -40.89 -35.1 0.47 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.492 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.5 mp -76.97 -41.86 41.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.483 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 517' ' ' ASP . 56.2 mm-40 -75.3 14.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER -99.76 89.1 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.6 ' C ' ' H ' ' A' ' 556' ' ' ILE . 35.2 p -100.25 140.59 34.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.594 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -69.54 29.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.6 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.6 -26.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.543 -179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.74 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 558' ' ' LEU . 0.3 OUTLIER -165.94 179.7 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 560' ' ' THR . 32.0 ttmt -90.71 121.46 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.62 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.524 ' O ' ' CE3' ' A' ' 562' ' ' TRP . 92.7 m -168.13 150.72 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 561' ' ' ASP . 0.4 OUTLIER -82.93 130.0 35.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 560' ' ' THR . 2.7 p90 -146.63 -12.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 563' ' ' VAL . 7.0 p -52.96 -15.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -70.92 -37.76 72.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -81.19 -60.67 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.57 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.3 mp -43.51 -46.13 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.06 -53.33 51.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 23.3 tp -46.66 -72.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.525 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -44.89 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.4 tp -41.18 -23.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -75.62 -75.96 0.81 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 95.8 mt -50.71 -27.2 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 49.2 tp -46.28 -26.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 543' ' ' THR . 54.5 m-85 -118.0 163.39 16.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 13.1 ptm -173.86 -14.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -77.34 -150.6 4.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.82 144.01 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.708 ' O ' ' N ' ' A' ' 580' ' ' GLN . . . 140.35 69.63 0.04 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 578' ' ' GLY . 7.0 mp0 25.97 34.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.708 ' N ' ' O ' ' A' ' 578' ' ' GLY . 54.5 mt-30 -69.69 -63.75 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.77 -28.27 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -58.91 -49.44 77.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.7 -42.71 99.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.486 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 56.1 t -51.8 -56.02 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.516 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.8 mp -53.99 -40.53 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.42 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -54.17 -39.36 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.33 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 590' ' ' ALA . 40.1 m -61.97 -55.77 26.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.334 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.6 mt -46.08 -28.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.297 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 46.5 t -86.46 -29.51 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -52.92 -36.25 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.327 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 592' ' ' GLU . 13.6 pt -89.44 -157.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 591' ' ' ILE . 22.1 mt-10 -59.31 -147.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 593' ' ' HIS . 0.5 OUTLIER -157.47 68.31 4.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 593' ' ' HIS . 3.1 Cg_exo -75.85 -158.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.939 2.426 . . . . 0.0 111.915 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.49 -19.0 63.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 4.5 m -49.53 -26.36 3.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 80.8 p -43.01 -37.98 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -53.33 -39.05 63.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.25 -40.54 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -50.55 -31.95 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.32 -49.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.5 tp -47.51 -62.41 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.29 -52.87 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.55 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -44.69 -31.92 2.77 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 20.9 t -76.59 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.499 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 46.6 t -74.98 119.15 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 177.39 160.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -61.88 166.76 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 1.2 t -55.59 137.59 48.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -159.21 49.97 0.4 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 65.1 p -83.69 -133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.306 . . . . 0.0 110.582 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -94.37 121.25 35.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.9 pt -126.73 151.78 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.493 ' CE2' ' OG1' ' B' ' 14' ' ' THR . 92.1 m-85 -108.14 141.27 40.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.604 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 74.0 t -120.25 103.28 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -89.11 117.65 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.719 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.18 142.56 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.54 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.505 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -53.19 -45.3 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -46.33 -62.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.78 82.12 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -175.11 159.39 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 110.595 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -136.75 104.59 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.55 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.744 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.493 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 51.1 m -109.2 125.35 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.426 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -120.47 158.22 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.717 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -111.0 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' B' ' 56' ' ' LEU . 9.7 m -98.19 -174.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.768 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.502 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 50.6 mt-10 -135.58 146.6 58.14 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.24 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.0 -23.51 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.902 2.401 . . . . 0.0 112.297 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.45 22.83 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.813 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 8.3 m-20 -96.17 133.1 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.5 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 25' ' ' ASN . 2.1 p -82.21 139.12 34.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 21.5 mm -40.92 -50.49 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.62 -39.32 57.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 22' ' ' THR . 0.3 OUTLIER -63.21 -41.27 99.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.325 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.01 -50.08 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -52.81 -38.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.3 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.79 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.25 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -56.61 -38.74 72.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.75 -45.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -55.22 -34.93 64.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -74.32 -29.28 61.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.464 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -74.08 -57.79 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -97.7 -81.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.73 12.49 0.05 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.514 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 43.6 mt -79.86 113.18 35.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.652 0.263 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.19 138.47 13.0 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.53 2.154 . . . . 0.0 111.919 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.61 -64.83 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.724 2.283 . . . . 0.0 111.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -38.5 -34.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 72' ' ' ARG . 10.4 mm100 -95.49 59.82 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 70.5 mt-30 -153.01 106.32 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -103.41 103.72 13.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.465 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mt -91.64 131.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.75 147.67 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.449 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.5 t80 -137.71 177.22 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.639 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -34.89 -34.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -80.6 -89.56 0.53 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 16.6 ttmt -153.43 -142.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.538 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 48.9 tt0 -84.12 131.43 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.331 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.421 ' N ' HD23 ' B' ' 50' ' ' LEU . 8.6 mt -83.1 128.41 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.7 mp0 -80.12 159.52 26.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.589 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.02 110.23 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 145.66 -66.32 0.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 53' ' ' GLY . 0.4 OUTLIER -46.17 175.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.304 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 p -115.71 169.44 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' B' ' 17' ' ' VAL . 72.4 mt -69.97 -10.61 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.1 p -88.49 -11.93 44.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -82.34 -39.96 22.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -86.03 5.97 31.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 62.27 35.28 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.604 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.94 101.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.444 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -80.2 -157.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.65 160.53 19.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 59.3 35.18 23.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -94.47 130.74 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.559 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.8 m -94.32 105.27 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.56 123.27 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.34 101.36 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.459 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.27 131.85 39.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.31 135.9 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.401 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.662 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.3 mp -79.54 125.56 29.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.567 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.534 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 53.7 ttt85 -81.91 75.57 8.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.614 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 8.7 mt 58.8 148.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.66 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 73' ' ' LEU . 93.1 mtt180 -41.93 163.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.62 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.419 ' O ' ' OXT' ' B' ' 76' ' ' GLY . . . -160.38 106.88 0.3 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.881 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.419 ' OXT' ' O ' ' B' ' 75' ' ' GLY . . . . . . . . 0 C--O 1.22 -0.742 0 CA-C-O 118.02 -1.433 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.482 ' N ' ' O ' ' C' ' 17' ' ' VAL . 24.9 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -95.25 112.28 24.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -114.92 155.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.472 ' CE1' HG23 ' C' ' 14' ' ' THR . 68.6 m-85 -113.06 146.02 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.76 107.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.41 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -86.02 134.1 33.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.498 ' C ' ' H ' ' C' ' 9' ' ' THR . 67.8 p -85.49 163.58 18.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.45 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' C' ' 8' ' ' LEU . 0.1 OUTLIER -71.03 40.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.512 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.498 ' H ' ' C ' ' C' ' 7' ' ' THR . 3.2 m -153.18 -57.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.575 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.21 -51.56 0.14 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -43.63 137.44 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.454 HG22 ' N ' ' C' ' 13' ' ' ILE . 31.8 m -123.26 157.61 32.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' C' ' 12' ' ' THR . 3.4 mt -131.08 138.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.548 ' C ' HD22 ' C' ' 15' ' ' LEU . 8.8 m -105.84 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.85 ' N ' HD22 ' C' ' 15' ' ' LEU . 2.5 mm? -101.53 127.44 48.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.478 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -88.87 82.28 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.291 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -106.97 -166.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.462 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -136.35 178.07 1.91 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.061 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.3 Cg_exo -74.58 -26.18 12.06 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.712 2.275 . . . . 0.0 112.29 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 16.59 13.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.658 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.5 m-20 -87.68 138.76 31.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.2 p -87.41 141.45 28.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -46.2 -53.98 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -44.76 -43.79 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.174 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 40.4 t-20 -59.92 -47.78 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -54.33 -51.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.163 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -51.82 -35.31 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.091 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -63.51 -46.4 86.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.252 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -61.09 -29.94 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.312 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.81 -39.34 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.381 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.38 -35.76 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.406 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.08 -31.05 64.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.633 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -76.12 -63.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -82.08 -90.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 165.64 3.98 0.04 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' C' ' 37' ' ' PRO . 34.0 mt -79.35 131.5 65.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.618 0.247 . . . . 0.0 110.435 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.12 143.55 36.09 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.551 2.167 . . . . 0.0 111.892 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.553 ' O ' ' N ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -45.86 -61.67 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.792 2.328 . . . . 0.0 111.96 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -41.33 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' C' ' 38' ' ' PRO . 82.9 mt-30 -112.13 54.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.529 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -146.78 168.11 22.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.645 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -171.09 103.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.524 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 mt -85.26 128.61 34.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.456 HD12 HG21 ' C' ' 70' ' ' VAL . 7.9 mt -125.2 139.84 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.499 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -144.92 134.7 23.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.14 25.94 13.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 51.27 10.74 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.64 135.95 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.62 ' H ' ' NE2' ' C' ' 49' ' ' GLN . 3.5 mp0 -74.32 135.95 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 mt -93.78 105.85 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.54 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.58 154.74 13.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.58 173.97 11.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.24 -41.99 2.97 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -65.44 170.86 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 43.3 p -116.5 167.07 11.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.683 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' C' ' 17' ' ' VAL . 71.6 mt -69.26 -5.3 22.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -88.46 -29.68 19.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -66.31 -39.41 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.488 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -87.77 8.5 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 58.34 16.69 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.46 101.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.393 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.437 ' O ' ' OG ' ' C' ' 65' ' ' SER . 37.8 mt-30 -81.2 -157.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -86.31 160.44 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 59.2 32.17 21.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' C' ' 62' ' ' GLN . 1.3 m -89.11 126.98 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -90.48 96.84 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -81.59 129.91 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -82.33 99.66 9.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.519 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.1 133.74 36.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.496 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.2 t -141.01 168.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.496 ' H ' HG12 ' C' ' 70' ' ' VAL . 22.4 mt -115.39 99.38 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' C' ' 73' ' ' LEU . 45.0 ttt85 -58.84 162.38 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' C' ' 72' ' ' ARG . 6.4 tp -156.61 141.75 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -62.98 -178.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.16 -133.62 1.75 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.42 ' H ' HG22 ' A' ' 483' ' ' THR . 0.9 OUTLIER -64.2 171.64 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -77.35 93.95 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 27.8 pt -53.56 -14.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 44.5 m -62.48 -53.03 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.638 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 18.2 t -51.53 -57.26 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.667 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.13 -38.48 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.668 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -59.28 -72.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.7 mm -53.24 -40.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -76.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -42.94 -50.77 6.05 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 18.2 tp -61.41 -34.41 75.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.51 18.31 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 18.5 tt -76.05 -12.28 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -62.56 -63.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.631 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 42.6 p90 -79.17 18.89 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -44.85 -69.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -93.67 88.34 1.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.2 m -154.45 -66.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.3 tttm 58.84 44.2 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -83.27 -150.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.633 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -112.0 -9.59 13.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -88.96 -41.33 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 505' ' ' VAL . 3.1 t -48.32 -51.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.375 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.6 mp -86.64 -19.91 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.43 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.87 -4.82 55.91 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.9 -42.91 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.15 -58.67 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.9 tp -45.08 -59.97 3.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.59 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -46.25 -49.82 11.0 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.538 2.159 . . . . 0.0 111.667 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 61.4 mt -55.09 -20.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.284 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.51 7.37 17.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.488 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.411 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -137.19 2.71 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 511' ' ' PRO . 27.3 t -59.0 -85.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 515' ' ' SER . 3.6 m -168.0 -63.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.8 114.06 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.3 OUTLIER -152.26 158.66 33.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.431 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.88 111.75 0.27 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.893 2.395 . . . . 0.0 112.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.18 -38.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.23 -39.55 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 55.3 p -84.0 -64.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.528 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -47.54 -24.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.02 -65.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 51.8 mtt -54.33 -23.35 14.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -69.26 -66.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 55.0 p -51.88 -25.91 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.4 tt -63.57 -59.61 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.26 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.62 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 530' ' ' LEU . 0.9 OUTLIER -59.27 -54.39 47.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -61.51 -35.47 77.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -53.22 -46.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.21 -49.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.1 13.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.5 -35.38 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -79.23 -50.22 5.9 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 30.4 p -82.1 -174.26 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 10.3 t -171.48 154.82 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 59.3 t-20 -167.07 134.54 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -57.85 -40.03 92.44 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.07 -35.73 5.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.0 -37.56 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.523 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 45.3 m -68.47 -47.17 67.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 40.8 p -51.61 -47.55 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 1.5 t -64.71 -50.9 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.189 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -28.48 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.8 tpt -72.13 -38.82 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.94 -36.68 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.462 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -45.69 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -60.43 -32.22 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 553' ' ' ARG . 25.3 tp -74.02 -52.48 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -73.95 29.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.49 ' H ' ' C ' ' A' ' 551' ' ' LEU . 29.3 ttm180 -46.41 140.43 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.445 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.519 HG22 HD13 ' A' ' 556' ' ' ILE . 0.2 OUTLIER -92.07 -26.44 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.587 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 558' ' ' LEU . . . 54.24 18.0 1.68 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.152 0.501 . . . . 0.0 109.739 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 554' ' ' THR . 0.8 OUTLIER -81.12 -18.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.644 -179.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.526 ' OE1' ' CE3' ' A' ' 562' ' ' TRP . 48.0 mt-10 -54.02 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 558' ' ' LEU . 3.5 mm? 54.93 30.02 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 560' ' ' THR . 56.1 mttp -154.04 145.81 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.517 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 559' ' ' LYS . 31.8 p 52.87 -158.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.06 155.87 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.526 ' CE3' ' OE1' ' A' ' 557' ' ' GLU . 13.7 p-90 -164.09 -41.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.542 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 38.8 t -47.15 -25.64 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 70.9 mtp85 -68.22 -43.03 78.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -62.09 -46.74 87.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.4 mp -57.85 -61.74 2.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -48.12 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 56.3 tp -45.88 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -50.22 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.635 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 43.7 tp -41.99 -21.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -81.91 -77.29 1.05 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 19.6 tt -46.14 -24.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.9 tp -48.11 -27.29 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -109.17 132.11 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 16.7 mmt -84.99 10.47 11.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 84.1 57.25 2.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -63.43 -100.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -172.07 -101.39 0.14 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.74 -32.27 73.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 580' ' ' GLN . 0.4 OUTLIER -46.76 -57.43 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 584' ' ' VAL . 98.1 t -54.89 -49.81 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.583 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 581' ' ' VAL . 9.8 t70 -38.72 -44.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.87 -42.87 80.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 581' ' ' VAL . 46.6 t -52.76 -44.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.91 -44.86 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.22 -34.61 66.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 590' ' ' ALA . 17.2 m -67.49 -55.38 13.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.479 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 98.9 mt -43.86 -32.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.42 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 62.4 m -78.07 -32.04 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.19 -26.41 62.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.648 HG22 ' H ' ' A' ' 592' ' ' GLU . 7.5 mm -77.84 172.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 591' ' ' ILE . 93.3 mt-10 -46.65 -11.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 591' ' ' ILE . 37.5 t60 60.31 70.29 1.03 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.78 -153.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.919 2.413 . . . . 0.0 111.876 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 55.1 mtt -73.19 22.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 594' ' ' PRO . 12.1 t -74.31 -2.9 27.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.539 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.2 m -41.06 -37.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.89 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 90.9 mt -42.33 -30.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.23 -47.38 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.21 -58.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 602' ' ' LEU . 10.0 mp -49.98 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 34.6 t -49.96 -27.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.05 93.53 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 -70.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 12.2 t -83.8 120.61 26.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.516 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -173.27 -73.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -59.98 134.2 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 9.9 t -79.09 8.18 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 54.42 -139.74 37.96 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.0 p -73.66 143.95 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.509 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.785 0 CA-C-O 118.019 -1.434 . . . . 0.0 110.88 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.645 HE21 ' N ' ' B' ' 3' ' ' ILE . 1.6 tm0? -93.74 130.37 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.648 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.645 ' N ' HE21 ' B' ' 2' ' ' GLN . 15.0 pt -138.58 149.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.669 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.434 ' CE2' ' NE2' ' B' ' 2' ' ' GLN . 98.0 m-85 -104.84 149.41 25.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.681 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.76 107.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.42 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -85.72 137.8 32.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.451 ' C ' ' H ' ' B' ' 9' ' ' THR . 40.1 p -103.41 142.03 34.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.491 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 41.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.451 ' H ' ' C ' ' B' ' 7' ' ' THR . 77.0 p -139.67 -32.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.36 62.75 0.17 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -174.77 131.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.629 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 m -108.5 156.47 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.46 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.411 HD13 HG21 ' B' ' 13' ' ' ILE . 4.6 mt -137.24 130.35 44.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.727 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -100.73 128.03 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.2 mt -128.74 133.43 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.777 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -92.49 76.84 5.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.262 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.7 m -97.2 -163.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.6 mt-10 -138.32 177.5 2.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.099 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.503 ' O ' ' OG ' ' B' ' 57' ' ' SER . 3.3 Cg_exo -75.32 -42.22 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.749 2.3 . . . . 0.0 112.175 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t -71.42 -11.9 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.767 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.06 136.38 57.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.429 ' O ' ' N ' ' B' ' 25' ' ' ASN . 3.7 p -89.08 140.87 29.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -41.2 -55.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.523 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -49.15 -35.68 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.534 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 16.7 t-20 -64.9 -44.01 90.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.131 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.9 -40.05 69.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.181 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.237 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 54.2 mttp -58.14 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.363 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -63.88 -44.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.403 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.19 -35.9 67.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -72.04 -27.99 63.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.04 -60.74 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -94.52 -95.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.66 15.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.557 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 32.2 mt -81.32 112.67 35.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.663 0.268 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.7 Cg_endo -46.26 137.91 13.71 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.598 2.199 . . . . 0.0 111.944 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.34 -56.43 2.94 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.728 2.286 . . . . 0.0 111.96 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.81 -30.82 6.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -100.91 61.63 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.557 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 59.3 mt-30 -153.27 92.76 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -88.43 110.72 21.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.453 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -101.53 121.69 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.694 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.448 HG22 ' HB1' ' A' ' 590' ' ' ALA . 8.7 mt -117.99 142.33 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.462 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' B' ' 47' ' ' GLY . 78.9 t80 -147.8 112.16 5.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 590' ' ' ALA . . . 42.05 -85.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.577 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.623 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -42.03 -86.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 47.1 tttt -157.04 -141.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.934 0.397 . . . . 0.0 110.653 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 49.3 tt0 -88.71 136.95 32.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.253 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.512 HD23 ' N ' ' B' ' 50' ' ' LEU . 5.7 mt -85.67 126.03 33.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.641 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -78.96 160.18 27.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.717 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -78.06 115.86 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.585 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 141.49 -66.83 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 53' ' ' GLY . 9.7 mmt85 -45.56 174.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 50.6 p -116.33 170.49 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.4 mt -70.6 -0.3 8.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' B' ' 19' ' ' PRO . 2.9 m -93.17 -40.64 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.578 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -53.07 -38.16 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -88.44 8.26 28.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 53.55 36.05 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.728 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.21 101.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.413 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.71 -157.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -85.61 159.77 19.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 63.59 31.37 14.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.697 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -91.19 123.69 34.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -93.45 94.69 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.512 ' H ' HD12 ' B' ' 67' ' ' LEU . 2.2 mp -86.38 141.21 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -85.99 141.26 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -128.2 131.26 48.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -137.91 116.53 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.599 ' O ' HD12 ' B' ' 71' ' ' LEU . 0.3 OUTLIER -75.27 161.88 28.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttt-85 -62.11 -88.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.443 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -173.62 111.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -79.06 -170.11 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.95 -73.12 0.47 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.945 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.418 ' N ' ' O ' ' C' ' 17' ' ' VAL . 27.9 ttp . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -103.43 121.04 41.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.88 149.43 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.21 147.47 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -125.06 102.61 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -85.52 126.3 33.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -84.52 155.7 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.364 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tp -71.71 49.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 26.0 p -149.82 -44.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.42 -28.33 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' C' ' 34' ' ' GLU . 37.0 ttpt -68.27 155.58 39.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 36.6 m -138.38 143.39 39.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.425 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -122.25 143.5 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -109.56 116.96 32.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.369 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -119.17 134.06 55.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.773 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -91.74 113.26 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.29 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' C' ' 56' ' ' LEU . 5.0 m -135.32 -165.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.516 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 13.4 mp0 -142.9 148.43 45.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.258 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -43.85 14.03 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.887 2.391 . . . . 0.0 112.224 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -39.92 92.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 14.7 m-20 -40.64 146.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 3.9 p -98.1 146.25 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.597 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.93 -51.15 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.291 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -48.59 -44.32 36.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.192 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.527 HD21 ' NZ ' ' C' ' 29' ' ' LYS . 0.3 OUTLIER -59.0 -40.02 83.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.193 179.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.02 -46.67 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.178 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -54.41 -39.83 67.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.237 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.08 93.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.393 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . 0.527 ' NZ ' HD21 ' C' ' 25' ' ' ASN . 36.5 mttp -57.38 -41.1 79.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.304 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -65.14 -45.22 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.411 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -55.05 -35.35 64.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.4 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -71.59 -36.64 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -68.76 -60.89 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.465 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' C' ' 11' ' ' LYS . 67.2 mm-40 -90.52 -95.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.52 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.81 23.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.44 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 81.5 mt -90.99 106.21 14.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.697 0.284 . . . . 0.0 110.559 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.63 137.26 11.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.776 2.317 . . . . 0.0 111.979 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.32 -44.95 19.57 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.729 2.286 . . . . 0.0 112.014 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.39 9.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.71 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.529 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.0 mt-30 -137.02 54.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -150.77 177.57 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OE1' ' C' ' 49' ' ' GLN . 51.6 ttm-85 -171.3 104.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -86.72 119.04 26.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 44' ' ' ILE . 6.1 mt -118.82 136.19 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -139.53 134.15 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 44.21 13.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.476 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.12 53.11 49.08 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -159.53 121.45 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.768 0.318 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NH1' ' C' ' 42' ' ' ARG . 25.9 tt0 -73.57 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.44 122.05 30.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -78.69 158.96 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.598 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.59 162.99 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.46 -64.5 2.55 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -41.76 150.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 110.634 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.524 ' C ' ' H ' ' C' ' 57' ' ' SER . 30.9 p -98.93 157.25 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.577 ' CD1' HG21 ' C' ' 17' ' ' VAL . 97.9 mt -61.26 2.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.556 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.524 ' H ' ' C ' ' C' ' 55' ' ' THR . 38.1 t -96.15 -37.73 10.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -55.79 -41.53 74.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -83.79 6.11 22.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m120 56.61 29.83 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.643 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.51 98.01 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -77.66 -157.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -83.67 159.91 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 60.23 32.25 20.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -91.59 126.44 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 15.2 m -91.33 118.16 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.21 125.51 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -78.61 101.66 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.6 tp -83.73 131.5 34.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.416 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.631 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.7 t -137.13 172.14 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.631 ' H ' HG12 ' C' ' 70' ' ' VAL . 25.1 mt -114.04 166.99 11.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.425 ' HB3' ' HE ' ' C' ' 42' ' ' ARG . 36.4 ptt180 -145.74 169.3 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' C' ' 74' ' ' ARG . 43.0 tp -169.38 148.74 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 73' ' ' LEU . 31.5 mtt-85 -41.17 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.644 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.54 -136.67 2.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 22.7 p -51.77 -18.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -78.45 77.6 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.52 -26.13 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 28.5 t -50.7 -32.8 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 26.1 t -63.03 -41.19 99.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -71.97 -22.43 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.09 -69.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 10.2 mm -51.09 -36.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 20.9 tp -52.59 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -53.62 -50.2 54.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 5.7 tp -46.49 -47.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.556 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.73 91.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 9.1 mm -80.58 -2.47 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.651 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -81.12 -75.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -77.5 20.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -45.78 -67.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -98.3 73.68 0.59 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 24.0 m -137.43 -62.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 56.33 68.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 503' ' ' ASP . 0.4 OUTLIER -105.37 -148.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.542 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.571 ' H ' ' ND2' ' A' ' 502' ' ' ASN . 20.0 m-20 -114.54 -14.65 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -81.08 -44.66 17.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.229 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 5.5 t -45.76 -55.91 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.331 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.69 -26.61 63.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.497 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.66 -4.68 54.05 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.57 -41.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.34 . . . . 0.0 110.658 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.2 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.828 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 0.9 OUTLIER -44.56 -60.34 3.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.685 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -45.88 -49.12 11.48 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.62 2.213 . . . . 0.0 111.737 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 518' ' ' LEU . 61.8 mt -56.87 -19.49 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -127.62 26.85 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 515' ' ' SER . . . -153.03 -38.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.56 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 514' ' ' ALA . 65.2 m -31.57 -64.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.469 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 23.6 m -153.36 -79.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.701 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 518' ' ' LEU . 21.2 t70 -146.46 -55.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 517' ' ' ASP . 2.7 mt 51.48 173.97 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.284 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.96 156.93 43.21 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.804 2.336 . . . . 0.0 112.031 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 522' ' ' THR . 61.2 mt -74.03 -39.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -41.21 -27.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.647 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 520' ' ' ILE . 68.1 p -108.65 -57.49 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.12 -41.58 5.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 525' ' ' MET . . . -64.81 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 524' ' ' ALA . 21.6 mmt -37.85 -47.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.19 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.3 p -57.47 -21.95 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.625 ' O ' HD23 ' A' ' 528' ' ' LEU . 0.9 OUTLIER -74.95 -37.59 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.505 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -75.09 -44.08 49.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.98 -64.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -49.86 -51.07 43.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -41.18 -56.61 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.663 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 535' ' ' VAL . 88.2 t -67.56 -55.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -78.55 30.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 531' ' ' ALA . 7.6 p -70.33 -26.51 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.604 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -80.69 -67.09 1.58 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 4.7 p -68.78 -171.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 31.2 t -172.27 155.88 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -161.28 127.01 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -45.04 -35.16 4.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -50.13 -46.06 53.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.19 -37.23 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.3 m -66.64 -55.46 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.422 HG21 HD21 ' B' ' 71' ' ' LEU . 58.5 p -46.17 -31.12 2.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -56.4 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.02 -21.91 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.1 tpt -77.63 -58.07 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -44.35 -37.4 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.534 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.635 HD21 ' NH1' ' A' ' 553' ' ' ARG . 0.4 OUTLIER -68.54 -53.59 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -48.73 -32.46 8.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 16.3 tp -69.71 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 516' ' ' THR . 19.9 mt-10 -44.42 -37.85 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.52 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.635 ' NH1' HD21 ' A' ' 549' ' ' ASN . 50.4 ttm-85 -58.14 130.47 46.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.519 ' C ' ' H ' ' A' ' 556' ' ' ILE . 0.2 OUTLIER -105.34 -14.41 15.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 58.34 1.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.081 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.519 ' H ' ' C ' ' A' ' 554' ' ' THR . 1.0 OUTLIER -89.3 -30.37 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.449 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -43.36 -63.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 40.2 mt -112.72 168.99 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.93 67.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 72.7 p -148.35 70.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 36.2 t0 61.15 121.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.545 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 563' ' ' VAL . 46.6 p90 -161.07 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.482 ' N ' ' CD1' ' A' ' 562' ' ' TRP . 5.8 p -53.3 -12.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.523 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -68.5 -44.85 73.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -78.13 -53.19 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.7 mp -49.07 -45.17 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -70.91 -40.43 72.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.07 -58.33 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -60.98 -77.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 53.5 tp -40.53 -23.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.523 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -79.77 -77.69 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 17.7 tt -54.32 -13.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 20.0 tp -45.2 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -55.77 117.08 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 12.6 tpt -92.52 -57.03 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -87.3 111.94 3.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -47.46 167.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 159.94 179.9 35.04 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -73.83 -15.79 61.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.74 -52.67 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 582' ' ' ASP . 7.7 p -49.1 -42.7 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.532 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.534 ' N ' HG13 ' A' ' 581' ' ' VAL . 33.9 t0 -53.6 -41.94 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.519 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.61 -41.79 95.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 40.8 t -49.02 -45.59 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 585' ' ' LEU . 11.0 mp -63.01 -49.32 75.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.444 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -49.22 -33.28 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.336 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 9.2 m -69.66 -47.46 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.433 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 89.2 mt -46.68 -36.29 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 60.7 p -74.42 -33.48 62.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.445 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -59.14 -22.11 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.511 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 37.9 pt -119.19 -163.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.06 174.66 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 593' ' ' HIS . 3.3 p80 -143.66 74.29 16.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.562 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 596' ' ' THR . 3.2 Cg_exo -75.52 -152.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.97 2.447 . . . . 0.0 111.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 26.2 mtt -69.4 37.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 594' ' ' PRO . 9.9 t -94.35 -7.53 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 51.3 p -45.31 -40.35 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -50.04 -43.96 51.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 66.7 mt -74.48 -51.81 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.587 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -45.81 -62.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 34.4 t -56.48 -53.19 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.561 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 26.7 tp -45.02 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.588 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 78.6 t -49.68 -40.13 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -55.09 -31.82 56.35 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 606' ' ' CYS . 33.4 p -79.4 -58.49 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . 0.437 ' N ' ' OG ' ' A' ' 605' ' ' SER . 41.9 t -74.8 124.29 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -169.81 -155.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.597 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -77.65 -169.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 18.4 p -51.97 94.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -81.62 137.36 17.33 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 20.0 p -127.98 -76.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.613 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 118.005 -1.442 . . . . 0.0 110.92 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' B' ' 2' ' ' GLN . 7.9 pt20 -85.59 122.5 29.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 pt -123.2 144.87 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -98.94 142.47 30.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.4 t -123.89 104.46 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.32 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -90.13 119.93 30.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.719 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 9' ' ' THR . 26.6 p -89.66 143.28 26.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.448 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 42.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.478 ' H ' ' C ' ' B' ' 7' ' ' THR . 52.6 p -135.63 -15.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 65.48 0.63 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -173.99 141.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -120.45 132.34 55.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.412 HD13 HG21 ' B' ' 13' ' ' ILE . 5.2 mt -119.28 133.76 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.776 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.02 122.38 46.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -125.27 139.87 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' OE2' ' OE2' ' B' ' 18' ' ' GLU . 4.4 tm-20 -91.06 113.68 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.409 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' B' ' 56' ' ' LEU . 10.8 m -133.91 -170.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.686 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 20' ' ' SER . 49.9 mm-40 -138.59 144.02 40.52 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.367 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.02 -9.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.869 2.379 . . . . 0.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -105.01 12.69 31.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.724 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 18' ' ' GLU . 3.6 m-20 -87.6 137.43 32.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 55.5 p -84.63 138.21 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.61 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.5 mm -44.88 -40.41 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.372 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.01 -41.74 88.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -62.51 -40.73 97.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.2 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.72 -49.06 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.28 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -53.4 -40.16 64.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.28 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.71 83.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mttp -55.9 -38.94 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.4 -49.58 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.422 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -53.44 -30.97 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.459 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -75.81 -30.43 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -77.39 -61.67 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -91.04 -109.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.22 25.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.509 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 71.2 mt -97.65 99.94 7.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.594 0.235 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.9 Cg_endo -44.77 144.21 3.66 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.723 2.282 . . . . 0.0 112.018 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.32 -66.96 0.13 Allowed 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.792 2.328 . . . . 0.0 112.031 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' B' ' 38' ' ' PRO . 14.3 t70 -36.92 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 73' ' ' LEU . 15.1 mm100 -97.51 60.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.644 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 66.9 mt-30 -154.64 137.28 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.704 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -134.06 96.94 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.12 136.42 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.454 HG22 ' HB1' ' A' ' 590' ' ' ALA . 9.1 mt -136.72 144.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.369 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 60.4 t80 -135.1 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.609 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -35.55 -45.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.703 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.66 -90.02 0.06 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.42 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 43.1 tttt -154.11 -139.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.31 . . . . 0.0 110.542 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' H ' ' CG ' ' B' ' 48' ' ' LYS . 39.1 tt0 -86.04 129.05 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.55 129.94 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -88.41 159.73 17.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.21 162.92 28.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.66 -67.02 3.07 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.63 ' NE ' ' N ' ' B' ' 54' ' ' ARG . 4.2 mmp_? -43.14 169.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.663 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 67.4 p -113.13 171.55 7.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' B' ' 17' ' ' VAL . 73.4 mt -66.51 -28.97 68.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.45 ' C ' ' H ' ' B' ' 59' ' ' TYR . 5.8 t -66.05 -28.05 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' B' ' 59' ' ' TYR . 59.8 m-20 -77.56 30.28 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.581 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.469 ' CD2' ' O ' ' B' ' 58' ' ' ASP . 76.7 m-85 -158.48 4.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' B' ' 60' ' ' ASN . 1.8 m-20 59.57 24.69 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -70.11 98.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.436 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -80.24 -160.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -82.62 161.93 22.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 56.15 32.79 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.8 m -91.2 130.28 37.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.0 m -92.54 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.76 123.76 46.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -78.66 104.21 9.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.757 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -96.19 118.69 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.602 ' N ' HD23 ' B' ' 69' ' ' LEU . 4.3 t -119.65 114.82 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.47 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.788 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.7 pt? -85.57 141.19 30.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.602 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' NE ' ' OE1' ' B' ' 40' ' ' GLN . 6.6 ptm180 -90.42 71.07 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 40' ' ' GLN . 17.5 mt 61.35 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.512 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -158.6 -171.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.83 79.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.812 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.903 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.493 ' N ' ' O ' ' C' ' 17' ' ' VAL . 21.5 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -92.86 123.35 36.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.62 142.37 41.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.405 ' O ' HD12 ' C' ' 67' ' ' LEU . 78.8 m-85 -96.39 136.25 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.599 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -117.94 105.17 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.408 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -83.82 133.06 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 51.7 p -83.11 -139.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.94 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 3.5 m -160.15 -14.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.45 64.7 0.24 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -173.39 148.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.647 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' C' ' 13' ' ' ILE . 94.7 m -135.76 161.45 35.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.47 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.544 ' N ' HG22 ' C' ' 12' ' ' THR . 3.2 mt -138.41 137.52 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.511 ' C ' HD22 ' C' ' 15' ' ' LEU . 3.7 m -106.19 102.66 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.646 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.74 ' N ' HD22 ' C' ' 15' ' ' LEU . 3.4 mm? -97.12 133.92 41.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.0 103.46 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' C' ' 56' ' ' LEU . 4.4 m -129.44 -164.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.61 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 5.0 mt-10 -145.86 146.73 29.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.238 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -45.32 -13.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.866 2.377 . . . . 0.0 112.274 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.472 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.6 p -105.08 19.94 19.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.799 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.61 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -93.34 137.48 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.434 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.459 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.5 p -82.38 129.23 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' C' ' 22' ' ' THR . 35.4 mm -38.82 -51.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.449 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -49.82 -43.31 48.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' C' ' 22' ' ' THR . 16.5 t-20 -60.24 -41.81 93.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -48.42 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -53.26 -41.71 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.268 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.4 ' O ' ' OD1' ' C' ' 32' ' ' ASP . . . -60.64 -46.42 90.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.301 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -56.9 -38.83 73.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.84 -42.08 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.51 -36.4 73.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' C' ' 28' ' ' ALA . 1.3 m-20 -70.61 -34.37 72.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -71.4 -58.93 3.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.479 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -93.03 -95.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.9 17.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD2' ' C' ' 37' ' ' PRO . 27.7 mt -90.14 105.91 12.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.7 Cg_endo -45.77 144.3 5.69 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.649 2.233 . . . . 0.0 111.956 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.58 -62.78 0.4 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.85 2.367 . . . . 0.0 111.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -44.9 -29.79 0.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.686 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -97.19 55.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.4 mt-30 -149.13 165.45 31.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.469 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 52.2 ttt180 -162.73 103.72 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -92.55 117.39 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 90.9 mt -116.59 128.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.576 ' O ' ' HB3' ' C' ' 46' ' ' ALA . 70.8 t80 -128.98 126.04 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' C' ' 45' ' ' PHE . . . 73.28 -9.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' C' ' 45' ' ' PHE . . . 121.54 -14.45 9.28 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -98.94 143.67 28.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -81.15 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 41.3 mt -83.75 111.63 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.575 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.33 154.79 26.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -77.11 172.3 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.457 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.24 -61.97 2.22 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -46.63 168.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.435 ' OG1' ' OG ' ' C' ' 57' ' ' SER . 28.2 p -108.53 173.44 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.67 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' C' ' 17' ' ' VAL . 34.0 mt -68.91 -22.16 64.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.694 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.435 ' OG ' ' OG1' ' C' ' 55' ' ' THR . 19.1 p -69.54 -27.28 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.644 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -76.42 15.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.682 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' C' ' 57' ' ' SER . 94.8 m-85 -143.07 4.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 54.26 46.87 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.11 110.27 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.4 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -88.57 -171.44 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.779 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -76.15 160.38 29.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 59.27 28.71 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.726 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -85.38 127.75 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.389 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 20.2 m -92.94 104.01 16.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.665 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.405 HD12 ' O ' ' C' ' 4' ' ' PHE . 4.9 mp -87.52 172.69 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.467 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -122.76 99.3 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -85.15 130.62 34.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.36 159.66 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.576 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.7 mm? -84.09 125.23 31.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.07 148.0 47.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 59.2 tp -170.56 88.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -53.95 156.86 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.59 -144.58 6.92 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 51.9 t0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 46.3 p -78.12 116.0 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 61.7 mttp 51.63 57.13 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 75.2 mt -50.0 -26.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 17.0 t -57.0 -43.03 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 488' ' ' ALA . 53.3 p -57.6 -61.7 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' A' ' 487' ' ' SER . . . -41.25 -37.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -59.04 -58.86 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 16.4 mm -42.58 -47.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 491' ' ' LEU . 9.9 mp -59.17 -42.84 91.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.488 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -59.84 -48.75 84.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 497' ' ' PHE . 10.8 mp -58.08 -36.95 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.23 -44.09 93.39 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 28.4 pt -87.29 1.58 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.722 0.296 . . . . 0.0 110.619 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -84.01 -59.44 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 493' ' ' LEU . 51.9 p90 -89.54 20.47 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -38.66 -67.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -108.49 80.11 0.26 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 14.0 m -138.26 -67.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 62.49 64.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -91.96 -94.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -177.61 -30.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 505' ' ' VAL . 19.9 tp10 -81.09 -38.95 26.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.193 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 504' ' ' GLU . 4.3 t -38.93 -49.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.279 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 511' ' ' PRO . 7.7 mt -82.55 -30.7 29.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.378 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -55.35 -9.34 2.17 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.8 tp -120.76 -43.38 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.318 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.418 HD13 HD21 ' A' ' 530' ' ' LEU . 74.2 mt -66.21 -63.15 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.792 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 511' ' ' PRO . 5.9 mt -38.4 -64.78 0.43 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.753 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.571 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.8 Cg_endo -45.55 -53.56 5.4 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.749 2.299 . . . . 0.0 111.744 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 59.5 mt -51.38 -17.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.313 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -128.12 11.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -154.95 16.61 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 511' ' ' PRO . 7.8 m -63.04 -57.13 11.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 552' ' ' GLU . 3.2 m -168.25 -53.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -168.51 68.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.517 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 88.5 mt -91.43 149.87 40.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 124.05 5.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.757 2.304 . . . . 0.0 111.986 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.5 -13.96 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.16 -46.48 89.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 69.0 p -87.97 -49.42 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.52 15.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -51.17 -46.4 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.8 mtt -59.87 -71.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -43.1 -47.48 6.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 44.7 t -47.16 -45.06 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.53 -31.42 69.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -53.37 -53.55 49.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.6 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 509' ' ' LEU . 42.1 mt -63.95 -51.26 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.518 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.4 ' O ' ' CA ' ' A' ' 535' ' ' VAL . . . -42.46 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -56.48 -50.17 72.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.555 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.8 t -69.75 -68.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.98 17.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 536' ' ' GLY . 10.6 p -46.33 -47.95 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.612 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.613 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -78.69 -73.95 1.08 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 70.5 m -62.84 115.66 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 9.8 m -104.12 170.39 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.443 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -163.16 167.87 21.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' ' 544' ' ' THR . . . -78.28 -47.31 8.33 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -44.5 -41.68 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.9 -59.62 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.6 m -59.46 -59.19 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 540' ' ' GLY . 78.6 p -40.74 -55.21 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.547 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.401 ' CB ' HD22 ' A' ' 510' ' ' LEU . 4.2 m -60.17 -55.72 30.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.347 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -29.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.221 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 4.5 tpt -77.62 -43.45 31.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -45.95 -47.88 16.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.322 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -69.05 -40.91 78.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.297 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.517 ' CE2' HD21 ' A' ' 566' ' ' LEU . 15.6 t80 -59.53 -29.38 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.438 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' A' ' 553' ' ' ARG . 16.9 tp -72.46 -59.77 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 516' ' ' THR . 31.1 mt-10 -71.35 22.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.5 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' A' ' 551' ' ' LEU . 34.7 ttp180 -70.52 80.7 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.567 ' C ' ' H ' ' A' ' 556' ' ' ILE . 78.7 p -80.27 133.95 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -56.05 -4.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.245 0.545 . . . . 0.0 109.728 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -59.9 -33.7 53.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.48 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -90.13 0.29 57.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.515 HD13 ' N ' ' A' ' 559' ' ' LYS . 0.2 OUTLIER -65.11 109.85 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.525 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.515 ' N ' HD13 ' A' ' 558' ' ' LEU . 46.7 tttm -157.23 -70.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 72.2 p -92.73 169.63 10.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -44.45 157.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 54.0 p-90 -168.47 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.588 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 8.8 p -44.32 -19.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.654 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 562' ' ' TRP . 29.5 ttm-85 -80.58 -71.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.72 -47.26 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.634 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.517 HD21 ' CE2' ' A' ' 550' ' ' PHE . 56.4 tp -56.4 -66.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.33 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.7 -53.4 15.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -50.37 -58.19 6.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 99.6 mt -64.07 -3.16 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -93.51 -67.25 1.07 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.3 mm -60.16 -39.5 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 25.2 tp -42.43 -68.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.23 107.32 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.47 -7.53 14.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 58.75 102.62 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -163.27 17.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -173.79 173.89 46.01 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -65.93 -1.39 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.556 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -52.55 -55.4 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.599 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 582' ' ' ASP . 5.8 p -52.05 -38.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 581' ' ' VAL . 7.1 t70 -52.92 -46.56 68.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.93 -49.43 77.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.503 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 51.3 t -42.15 -48.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.86 -40.43 92.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.426 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -55.49 -40.96 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.308 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.42 ' HG1' ' CD2' ' B' ' 68' ' ' HIS . 9.4 m -62.81 -48.45 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 79.7 mt -46.27 -39.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.26 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 7.5 t -67.32 -34.2 76.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.268 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.48 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -56.8 -32.51 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.419 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 51.5 mt -103.36 75.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.461 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 54.72 -158.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 594' ' ' PRO . 0.0 OUTLIER -175.49 46.17 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.634 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 593' ' ' HIS . 2.7 Cg_endo -44.26 -102.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.939 2.426 . . . . 0.0 111.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 597' ' ' SER . 0.6 OUTLIER -107.73 3.71 24.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.712 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 598' ' ' ALA . 9.8 t -48.48 -10.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 595' ' ' MET . 69.5 m -44.01 -19.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -74.2 -48.83 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.38 -30.05 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -65.92 -35.79 81.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.79 -47.28 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 5.7 tp -48.08 -71.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.574 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 44.7 t -55.83 -38.85 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.74 -38.31 53.13 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 68.6 m -70.13 -46.19 65.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.0 110.6 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 38.5 t -80.08 119.61 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.599 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -179.93 -174.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.537 ' O ' ' CD2' ' A' ' 608' ' ' TYR . 34.8 p90 -79.93 111.13 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 6.4 p -94.95 31.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 72.69 155.99 3.07 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 134.88 22.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.974 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -98.79 100.87 12.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.445 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.481 HG12 HG22 ' B' ' 17' ' ' VAL . 9.6 pt -94.84 149.75 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.656 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.42 137.19 41.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.4 t -119.75 107.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.385 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -93.85 118.38 31.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 9' ' ' THR . 62.3 p -87.07 142.88 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.484 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.31 41.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.472 ' H ' ' C ' ' B' ' 7' ' ' THR . 73.2 p -135.73 -31.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.24 66.72 0.17 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -173.31 139.35 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -124.66 111.34 15.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -97.47 152.69 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.56 ' C ' HD22 ' B' ' 15' ' ' LEU . 4.1 m -117.15 103.69 10.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.391 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.744 HD22 ' N ' ' B' ' 15' ' ' LEU . 3.3 mm? -100.01 130.15 46.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.763 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.77 92.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.481 HG22 HG12 ' B' ' 3' ' ' ILE . 9.4 m -115.84 171.97 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.684 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 81.3 mm-40 -122.38 147.67 50.51 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.291 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.07 -25.79 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.968 2.445 . . . . 0.0 112.628 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -95.76 14.18 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.027 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.684 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 34.8 m-20 -82.03 133.62 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.6 p -82.24 140.55 33.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mm -44.14 -53.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -50.52 -34.83 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -43.84 88.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.234 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.05 -49.25 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.231 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -53.4 -39.3 64.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.324 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.78 81.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.479 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -57.16 -36.7 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.8 mt -67.65 -47.48 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -54.39 -40.08 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -67.27 -37.13 82.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -68.24 -64.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -84.3 -86.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.09 -0.75 0.05 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 56.3 mt -72.04 132.38 84.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 0.0 110.456 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.54 143.31 34.16 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.717 2.278 . . . . 0.0 111.911 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.23 -64.62 0.24 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.865 2.376 . . . . 0.0 112.0 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' B' ' 38' ' ' PRO . 5.3 m-20 -38.03 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 38' ' ' PRO . 66.2 mm-40 -104.69 53.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -149.21 138.58 21.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.65 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -138.5 97.05 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.42 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 12.6 mt -87.43 134.09 33.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.48 HG22 ' HB1' ' A' ' 590' ' ' ALA . 5.0 mt -130.45 144.83 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.596 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 66.1 t80 -131.85 179.64 5.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.1 -35.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -78.17 -87.65 0.43 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.433 ' C ' HG23 ' B' ' 44' ' ' ILE . 37.5 tttt -157.15 -145.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 6.6 tp-100 -80.33 137.69 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.421 HD23 ' N ' ' B' ' 50' ' ' LEU . 7.3 mt -89.68 123.86 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -80.19 159.43 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 121.37 23.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.461 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 133.33 -70.2 0.52 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.3 mmt180 -44.42 170.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.554 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -113.45 173.07 6.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.583 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.439 ' CD1' HG21 ' B' ' 17' ' ' VAL . 42.4 mt -73.32 3.1 6.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.655 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 6.6 t -93.76 -27.73 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.9 -39.03 72.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.616 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -85.16 8.75 17.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 35.3 m120 54.79 40.12 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 mt -86.44 113.35 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.44 -158.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -86.43 159.33 19.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 57.69 22.27 8.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.708 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -77.08 133.29 39.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -88.29 112.36 22.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.69 122.55 45.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.42 ' CD2' ' HG1' ' A' ' 587' ' ' THR . 19.8 m80 -76.3 103.26 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.456 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.12 111.27 22.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -108.36 137.52 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.497 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mt -85.56 165.52 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -109.5 73.35 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.47 174.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 -45.48 119.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.28 -41.41 9.3 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.972 -1.46 . . . . 0.0 110.956 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.46 104.16 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.473 HD12 HD22 ' C' ' 67' ' ' LEU . 21.0 pt -96.92 151.61 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.757 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.15 152.64 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -128.51 100.0 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.251 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -85.19 125.12 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.673 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.43 ' C ' ' H ' ' C' ' 9' ' ' THR . 82.1 p -85.43 155.67 21.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 43.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.43 ' H ' ' C ' ' C' ' 7' ' ' THR . 1.3 m -150.24 -32.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.62 -54.55 0.54 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -40.16 140.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.8 m -132.86 116.23 16.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.551 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.67 165.77 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.671 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.507 ' C ' HD12 ' C' ' 15' ' ' LEU . 6.6 m -133.35 106.24 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.326 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.529 HD12 ' N ' ' C' ' 15' ' ' LEU . 10.7 mp -107.19 136.69 46.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -87.98 105.09 17.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.272 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 m -127.3 170.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.583 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 3.2 mm-40 -119.43 177.23 1.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.097 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.57 -25.28 12.95 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.69 2.26 . . . . 0.0 112.051 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -92.38 4.81 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.583 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 17.2 m-20 -74.95 137.34 41.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -87.18 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.24 -52.98 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.435 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -47.94 -40.44 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.265 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -62.48 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 41.6 t -62.05 -48.09 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.308 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.256 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.19 -47.25 83.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.302 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -56.12 -41.79 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.317 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mt -64.37 -42.13 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.489 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.54 -33.01 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.49 -32.13 62.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -75.52 -64.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.76 -95.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.559 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . 164.07 17.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.52 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 43.0 mt -85.69 110.8 32.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.591 0.234 . . . . 0.0 110.464 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.84 137.9 12.23 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.601 2.201 . . . . 0.0 111.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.29 -57.35 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.762 2.308 . . . . 0.0 112.074 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . 0.457 ' O ' ' CZ ' ' C' ' 72' ' ' ARG . 13.8 t70 -46.08 -38.87 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.7 -35.81 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 90.7 mt-30 -57.31 150.64 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -150.27 104.85 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.2 mt -87.19 115.21 24.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.45 HD12 HG21 ' C' ' 70' ' ' VAL . 7.0 mt -117.07 126.54 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -143.75 145.22 32.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 38.35 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.2 51.51 58.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -168.42 132.71 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.57 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -77.89 138.0 38.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.73 119.98 26.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.58 158.18 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.23 161.59 30.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.606 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 87.19 -66.37 3.52 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.7 mmt180 -40.95 164.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.553 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.424 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.6 p -114.8 160.18 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.44 -1.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.424 ' H ' ' C ' ' C' ' 55' ' ' THR . 2.1 t -92.84 -15.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -81.9 -30.56 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -93.61 6.49 48.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . 0.535 ' O ' ' NE2' ' C' ' 62' ' ' GLN . 6.8 m120 61.87 14.12 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.77 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -57.62 115.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' C' ' 60' ' ' ASN . 17.0 mp0 -87.74 -161.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.672 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -86.42 159.35 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.735 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 56.28 24.35 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -78.93 135.55 36.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.499 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . 0.444 ' C ' HD12 ' C' ' 67' ' ' LEU . 3.9 m -83.46 126.52 32.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . 0.473 HD22 HD12 ' C' ' 3' ' ' ILE . 8.5 mp -112.49 112.24 23.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.49 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -72.51 100.61 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.04 126.44 33.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.545 HG12 ' H ' ' C' ' 71' ' ' LEU . 0.8 OUTLIER -138.73 176.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.482 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.545 ' H ' HG12 ' C' ' 70' ' ' VAL . 15.5 mt -94.94 163.83 13.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.611 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . 0.457 ' CZ ' ' O ' ' C' ' 39' ' ' ASP . 45.0 ttp85 -129.03 156.03 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -173.89 119.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -54.7 176.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.621 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.81 179.5 38.76 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.1 p -119.97 32.51 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -51.43 142.0 14.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.566 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.6 pt -48.75 -28.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.551 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 46.3 m -46.15 -46.47 17.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 27.3 t -57.1 -53.34 59.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.72 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.95 -70.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 25.0 mm -53.44 -36.14 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.39 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -43.59 -39.79 4.72 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 496' ' ' ALA . 4.6 mp -62.12 -38.84 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.518 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -60.53 -48.02 88.26 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.54 -9.61 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -78.51 -48.35 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 497' ' ' PHE . 1.2 m-85 -66.35 6.42 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -78.57 11.57 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.546 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -64.86 -96.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 34.3 t -158.28 75.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.9 mttp 42.64 79.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.639 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -94.1 131.75 39.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -6.05 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -81.45 -37.61 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.01 -60.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.078 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.3 -22.86 66.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -58.8 -34.1 76.13 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 2.8 tp -113.03 -38.73 4.41 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 3.8 mm? -66.95 -60.5 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.902 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.647 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 0.3 OUTLIER -40.51 -60.41 1.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.61 -57.21 2.46 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.299 1.999 . . . . 0.0 111.609 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 512' ' ' ILE . 67.5 mt -53.47 -11.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 511' ' ' PRO . . . -106.36 -8.82 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.476 ' HB2' ' OG ' ' A' ' 545' ' ' SER . . . -167.62 43.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.539 174.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 511' ' ' PRO . 6.2 p -69.65 -56.98 5.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.136 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.7 OUTLIER -172.73 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -171.4 90.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 34.4 mt -120.76 149.95 51.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.66 121.22 3.2 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.817 2.345 . . . . 0.0 111.937 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 20.7 pt -64.72 4.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.546 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 519' ' ' PRO . 45.2 mt-10 -74.84 -61.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 3.4 p -82.29 -45.07 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.65 -38.1 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.72 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 19.9 mtt -59.01 -49.56 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -48.5 -56.89 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.544 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 9.7 t -51.12 -53.7 31.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 531' ' ' ALA . 13.9 tp -49.58 -38.09 30.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.627 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -57.18 -46.48 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.44 -18.8 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 528' ' ' LEU . . . -72.96 -65.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.639 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -51.54 -31.32 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.471 ' C ' ' H ' ' A' ' 535' ' ' VAL . 81.0 t -75.11 -69.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -74.3 20.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.4 p -51.55 -31.33 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.28 -96.68 0.06 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.477 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 5.7 t -58.2 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.477 ' N ' ' OG1' ' A' ' 537' ' ' THR . 8.0 p -152.51 170.37 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 538' ' ' CYS . 13.5 m-80 -158.23 145.38 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -72.95 -40.95 50.45 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.72 -46.17 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.05 -36.94 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.525 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 20.3 m -66.27 -53.91 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 5.9 p -56.63 -27.56 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 514' ' ' ALA . 0.9 OUTLIER -79.26 -59.42 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.293 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -29.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.483 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.4 mmt -74.56 -55.46 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -39.42 -41.02 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -69.69 -52.54 24.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.655 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.74 -29.27 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 553' ' ' ARG . 9.9 mp -75.87 -53.99 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -48.54 -11.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 551' ' ' LEU . 24.5 ttp180 -59.46 105.31 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 556' ' ' ILE . 16.2 p -95.44 1.86 54.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.797 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . 52.66 13.8 0.36 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.044 0.45 . . . . 0.0 109.907 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.43 ' N ' ' C ' ' A' ' 554' ' ' THR . 0.8 OUTLIER -74.26 -27.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.71 -179.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -63.12 -84.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.744 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 13.0 mt 60.66 84.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.509 ' NZ ' ' CB ' ' A' ' 559' ' ' LYS . 9.2 mtmp? -152.0 -93.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 12.6 m -78.37 156.45 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.506 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.49 130.72 35.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 560' ' ' THR . 2.1 p-90 -148.2 -12.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . . . . . . . . . 60.1 t -46.38 -21.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.582 ' NE ' ' CZ ' ' A' ' 565' ' ' PHE . 18.1 ptt180 -71.76 -47.31 54.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CZ ' ' NE ' ' A' ' 564' ' ' ARG . 29.6 m-85 -58.89 -36.58 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.485 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.2 mp -69.86 -28.03 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -78.86 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 568' ' ' LEU . 10.8 mp -47.87 -31.98 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.612 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.434 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -76.32 -84.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.589 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 39.4 tp -48.21 -17.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -76.65 -77.84 0.75 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 11.8 mm -65.43 -5.71 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 16.9 tp -40.96 -63.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -69.6 -166.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 23.0 ttt -150.62 -78.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -72.33 124.28 9.8 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -78.28 125.82 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 580' ' ' GLN . . . -164.39 -157.91 9.84 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.94 -9.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.825 0.345 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 578' ' ' GLY . 35.5 mt-30 -63.72 -66.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 90.9 t -46.62 -34.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.26 -73.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.598 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -49.93 -46.64 52.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.65 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 580' ' ' GLN . 56.3 t -43.29 -66.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.439 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 92.1 mt -47.88 -47.69 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.75 -43.78 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . . . . . . . . . 8.0 m -56.34 -51.15 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 15.9 mm -46.6 -39.71 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.345 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 8.0 t -63.11 -39.5 94.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.362 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -55.79 -30.2 60.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.388 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.849 HG22 ' H ' ' A' ' 592' ' ' GLU . 16.5 mm -80.06 179.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.417 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.849 ' H ' HG22 ' A' ' 591' ' ' ILE . 69.7 mt-10 -56.91 -144.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -141.52 73.42 24.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.53 -158.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.058 2.506 . . . . 0.0 112.008 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 34.3 mtt -89.98 16.55 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 68.6 p -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 47.8 t -43.29 -45.8 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.03 -59.31 5.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.98 -43.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -53.92 -38.78 65.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.68 -57.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.81 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 49.7 t -49.61 -33.95 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.16 87.59 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 27.4 p -64.57 -46.96 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.786 0.327 . . . . 0.0 110.547 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 34.8 t -80.67 129.69 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.44 -170.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -78.21 8.93 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 7.2 t -161.67 162.93 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -161.41 89.01 0.11 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 40.9 p -69.81 97.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 0.0 110.619 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 118.018 -1.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.65 120.64 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.3 148.96 33.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -106.67 151.6 24.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.97 104.83 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -87.22 128.16 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.646 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 9' ' ' THR . 13.7 p -102.38 144.04 31.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.494 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 40.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.435 ' H ' ' C ' ' B' ' 7' ' ' THR . 62.3 p -140.38 0.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.64 71.73 1.14 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -174.42 152.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.335 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -143.18 97.57 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 153.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.424 ' C ' HD12 ' B' ' 15' ' ' LEU . 8.5 m -129.09 100.37 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.612 ' N ' HD12 ' B' ' 15' ' ' LEU . 9.6 mp -98.83 168.65 9.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -122.58 76.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.185 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' B' ' 56' ' ' LEU . 5.4 m -98.16 -162.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.961 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.435 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 2.2 mt-10 -142.33 177.02 2.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.013 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.09 12.08 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.13 14.68 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.78 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -85.86 140.08 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.537 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 p -86.93 137.49 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 23.1 mm -44.15 -51.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.331 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -47.71 -43.89 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.28 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.41 -41.23 93.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.209 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.59 -51.17 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.184 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -51.18 -44.15 61.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.229 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.26 79.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -54.42 -47.9 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 mt -56.66 -47.05 82.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -55.21 -30.45 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.25 -43.85 66.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.19 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.442 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.09 -102.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 174.53 7.46 0.02 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.446 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 39.6 mt -69.26 134.83 89.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.17 135.1 22.24 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.561 2.174 . . . . 0.0 111.876 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -45.97 -39.91 19.99 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.652 2.235 . . . . 0.0 112.021 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -67.01 7.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' B' ' 38' ' ' PRO . 14.8 mt-30 -145.66 63.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -149.08 95.1 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 72' ' ' ARG . 7.0 mtp180 -88.3 103.89 16.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.18 125.43 39.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mt -125.17 147.06 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.391 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 68.8 t80 -136.29 173.44 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.627 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -37.14 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -83.74 -87.25 0.83 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -155.85 -137.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.625 ' NE2' ' N ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -85.01 134.62 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.79 111.16 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.664 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.78 159.24 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.57 165.66 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 84.61 -63.24 4.44 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' B' ' 53' ' ' GLY . 33.3 mmt-85 -45.09 173.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.28 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -117.1 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.535 ' CD1' HG21 ' B' ' 17' ' ' VAL . 95.5 mt -71.46 -12.23 61.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.596 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.6 p -83.23 -18.13 40.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -84.12 12.53 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -138.67 8.29 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 55.53 34.14 22.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.678 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -81.43 95.97 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -78.02 -157.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.652 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -84.49 161.72 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.706 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 56.69 37.97 29.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.9 m -95.36 133.72 38.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -92.55 95.36 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.59 122.76 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.71 143.59 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.226 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 tp -137.3 121.88 18.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.721 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.4 132.87 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.622 ' N ' HD12 ' B' ' 71' ' ' LEU . 9.4 mp -84.67 158.52 20.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.524 ' NH1' ' NH1' ' B' ' 42' ' ' ARG . 19.5 mmt180 -103.67 61.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.532 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.6 mp 56.35 78.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -51.11 -177.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.0 -139.55 6.04 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.781 0 CA-C-O 117.987 -1.451 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -108.23 112.79 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 pt -103.5 149.17 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -102.29 134.64 45.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -120.14 104.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.275 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -86.03 138.58 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.46 ' O ' ' N ' ' C' ' 9' ' ' THR . 71.7 p -109.45 142.25 40.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.467 ' O ' HG23 ' C' ' 9' ' ' THR . 10.8 mt -69.01 59.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.467 HG23 ' O ' ' C' ' 8' ' ' LEU . 49.7 p -162.23 -5.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.68 65.55 1.4 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -172.43 125.45 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 14.1 m -108.01 151.45 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.405 HD13 HG21 ' C' ' 13' ' ' ILE . 1.1 mt -132.64 122.1 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -89.75 118.88 29.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.38 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 25.1 mt -115.57 130.28 56.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.788 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.14 94.83 8.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.34 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' C' ' 56' ' ' LEU . 10.8 m -121.38 -179.49 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.781 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.446 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 10.4 mt-10 -123.48 170.59 8.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.217 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' C' ' 57' ' ' SER . 3.4 Cg_exo -74.54 -2.0 11.83 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.797 2.331 . . . . 0.0 112.156 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -113.92 -4.57 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 30.2 m-20 -64.05 138.08 58.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.539 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -84.95 142.62 29.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.586 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -46.0 -52.86 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.78 -43.01 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 16.1 t30 -59.92 -45.98 90.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.318 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.14 -50.24 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.224 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -52.74 -35.03 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.157 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -65.25 -45.42 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -59.43 -37.62 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.71 -36.79 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.346 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.43 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' C' ' 32' ' ' ASP . 2.7 m-20 -73.35 -29.77 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.592 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.4 -57.58 3.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -93.78 -93.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.44 22.91 0.02 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.43 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 67.0 mt -93.01 104.37 11.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.591 0.234 . . . . 0.0 110.514 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.37 138.71 9.98 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.608 2.205 . . . . 0.0 111.926 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.528 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.8 Cg_endo -46.15 -41.12 21.72 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.79 2.327 . . . . 0.0 111.939 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.24 23.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' C' ' 38' ' ' PRO . 23.2 mt-30 -153.25 50.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 59.8 mt-30 -148.19 176.21 10.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -171.38 104.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.91 123.0 32.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.418 HD12 HG21 ' C' ' 70' ' ' VAL . 3.8 mt -120.52 125.09 73.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.523 ' CG ' ' N ' ' C' ' 46' ' ' ALA . 55.1 t80 -99.28 -114.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' C' ' 45' ' ' PHE . . . -80.16 57.28 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.572 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.64 84.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -123.4 132.82 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -85.91 142.63 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.504 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -88.28 123.33 32.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.605 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -83.44 157.95 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -76.6 120.29 21.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 127.66 -67.54 0.55 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' C' ' 53' ' ' GLY . 12.6 mmt180 -42.26 167.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.759 0.314 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 4.8 p -108.47 171.69 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.604 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' C' ' 17' ' ' VAL . 90.9 mt -70.33 -12.1 61.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' C' ' 19' ' ' PRO . 1.4 t -83.78 -27.63 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.22 -39.61 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -86.41 10.51 14.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 56.95 30.22 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.625 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -80.39 101.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.441 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -80.71 -159.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -81.97 161.21 23.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.68 30.15 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -82.89 132.92 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -86.54 140.26 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.35 172.27 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -128.46 137.48 51.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.505 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . 0.719 HD23 ' N ' ' C' ' 70' ' ' VAL . 5.5 tt -107.34 121.2 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.719 ' N ' HD23 ' C' ' 69' ' ' LEU . 2.3 t -132.75 157.55 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.25 102.68 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -72.12 159.61 33.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.495 HD23 ' N ' ' C' ' 74' ' ' ARG . 2.1 tt -171.66 111.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . 0.495 ' N ' HD23 ' C' ' 73' ' ' LEU . 51.9 ttp180 -59.95 145.8 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.76 149.96 6.73 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.4 t -79.31 0.89 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.49 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 486' ' ' SER . 52.0 mtpt -63.49 163.2 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.594 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 19.9 tt -47.05 -19.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 52.7 m -45.85 -43.56 13.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 40.6 t -64.13 -61.01 2.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.588 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -46.72 -22.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -73.55 -71.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 14.0 mm -44.41 -56.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 491' ' ' LEU . 40.0 mt -46.59 -51.31 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -47.69 -58.39 6.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.9 mp -49.26 -39.81 31.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.69 91.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.2 mm -83.74 -12.94 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -70.67 -77.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 498' ' ' ALA . 5.5 p90 -85.68 29.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.675 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 497' ' ' PHE . . . -39.88 -42.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.439 ' O ' ' OG ' ' A' ' 500' ' ' SER . . . -108.91 -177.98 21.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.451 ' O ' ' OG ' ' A' ' 500' ' ' SER . 8.1 p 64.87 100.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.551 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -71.01 52.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 504' ' ' GLU . 56.5 t-20 -59.0 125.27 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -61.61 8.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.695 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' A' ' 502' ' ' ASN . 13.0 tp10 -90.66 -48.61 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.094 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 46.9 t -46.38 -35.76 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.2 mp -93.61 -24.17 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.471 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.53 34.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.22 -45.99 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 509' ' ' LEU . 7.9 mp -67.69 -54.11 22.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.932 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.56 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.2 tp -48.96 -58.75 7.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.747 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.7 Cg_endo -47.14 -49.06 13.42 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.44 2.093 . . . . 0.0 111.634 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.56 -20.97 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.272 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -110.44 20.02 18.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -162.14 20.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.48 ' O ' ' OG1' ' A' ' 516' ' ' THR . 38.6 t -71.66 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.309 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.494 ' OG1' ' NH1' ' C' ' 42' ' ' ARG . 0.2 OUTLIER -172.23 67.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 179.76 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 516' ' ' THR . 3.0 t70 80.83 109.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 518' ' ' LEU . 0.4 OUTLIER -162.13 155.7 17.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.319 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 521' ' ' GLU . 2.9 Cg_endo -44.29 107.49 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.827 2.351 . . . . 0.0 111.945 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' A' ' 557' ' ' GLU . 19.8 pt -74.56 19.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 519' ' ' PRO . 7.9 mp0 -78.8 -30.86 45.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.598 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 33.9 p -103.88 -26.1 12.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.83 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -44.33 -60.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 20.6 mmt -49.68 -46.99 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.32 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.574 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -53.86 -35.05 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.82 -45.3 61.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -47.22 -45.44 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 532' ' ' HIS . 91.8 mt -69.22 -68.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.615 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -42.96 -23.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 530' ' ' LEU . 23.8 t60 -72.93 -55.2 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 89.4 t -70.52 -29.56 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.633 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -101.9 11.32 38.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 11.3 p -44.84 -31.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -71.82 -84.77 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 8.6 t -74.68 -173.21 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.409 ' N ' ' OG1' ' A' ' 537' ' ' THR . 17.8 p -168.79 177.64 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.545 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -158.25 172.1 18.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -80.87 -45.7 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -44.06 -47.41 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 67.4 mt -49.53 -42.78 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 57.6 m -66.75 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 16.4 p -39.33 -37.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.415 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 18.2 m -74.05 -53.32 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -29.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 75.4 mmm -71.6 -48.86 45.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -47.52 -41.83 21.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.406 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.451 HD21 HG22 ' A' ' 520' ' ' ILE . 24.9 t-20 -68.1 -41.76 81.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.79 -19.34 63.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 553' ' ' ARG . 43.2 tp -87.49 -52.61 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -73.72 30.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 551' ' ' LEU . 11.4 ptp180 -65.29 132.26 48.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.513 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.589 ' C ' ' H ' ' A' ' 556' ' ' ILE . 31.4 p -100.43 141.99 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.808 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.446 ' HB1' HD11 ' A' ' 558' ' ' LEU . . . -70.6 29.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.135 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.589 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.5 OUTLIER -75.77 -20.13 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.629 -179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 520' ' ' ILE . 6.2 mm-40 -73.22 -94.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.654 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.446 HD11 ' HB1' ' A' ' 555' ' ' ALA . 3.7 mt 48.64 26.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -167.3 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 9.6 m -45.77 144.72 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.76 152.56 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.58 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 6.2 p-90 -159.77 -62.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.58 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 13.9 p -50.28 -12.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 562' ' ' TRP . 47.8 ttp180 -79.06 -44.27 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.573 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -79.61 -40.18 29.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.582 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.9 mp -60.87 -55.8 28.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.35 88.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.648 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 19.4 tp -49.95 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -52.09 -60.6 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.5 tp -45.56 -20.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.526 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -82.15 -76.63 1.09 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 574' ' ' TYR . 11.5 mm -44.72 -29.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 44.7 tp -43.69 -21.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 572' ' ' ILE . 38.0 m-85 -118.83 157.36 27.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . 0.643 ' N ' ' SD ' ' A' ' 575' ' ' MET . 0.0 OUTLIER -171.46 11.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.565 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -156.05 167.69 33.35 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . 0.443 ' OE1' ' OE1' ' A' ' 579' ' ' GLU . 4.3 tp-100 53.2 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.619 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.69 86.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 579' ' ' GLU . 20.6 mp0 -83.28 -45.31 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -56.78 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.537 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 582' ' ' ASP . 9.5 p -48.39 -38.83 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.452 ' N ' HG13 ' A' ' 581' ' ' VAL . 13.7 t70 -56.87 -51.28 69.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.643 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -52.28 -37.37 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 17.6 t -58.75 -44.37 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.8 -43.58 81.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -58.73 -32.12 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 590' ' ' ALA . 22.6 m -70.76 -56.6 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.524 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 96.7 mt -43.76 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.309 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 31.9 t -81.89 -32.35 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.317 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -55.81 -27.98 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 68.6 mt -85.11 91.98 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 43.44 -124.02 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -170.87 71.84 0.54 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.85 -160.92 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 597' ' ' SER . 8.4 ptp -90.56 14.33 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.552 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 598' ' ' ALA . 11.4 t -57.28 -3.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 595' ' ' MET . 73.1 m -42.81 -18.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.476 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 596' ' ' THR . . . -71.75 -51.66 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.1 mt -63.32 -39.85 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -54.8 -54.28 44.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 597' ' ' SER . 92.1 t -56.62 -56.58 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 23.0 tp -43.24 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.68 -16.77 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.569 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -68.5 -60.32 5.53 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 35.0 t -58.95 -60.97 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 30.6 m -82.18 122.0 27.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.631 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -166.41 -72.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -72.77 -82.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.585 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 25.0 p -44.05 121.44 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -79.19 -177.84 50.34 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 612' ' ' GLY . 81.2 p -78.62 -84.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.572 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . 0.461 ' N ' ' OG1' ' A' ' 611' ' ' THR . . . . . . . . 0 C--O 1.221 -0.67 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.8 ttp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -80.22 114.42 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.635 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 pt -119.23 150.9 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -108.06 144.91 34.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.619 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -127.45 104.2 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.421 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -85.27 118.99 25.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.407 ' C ' ' H ' ' B' ' 9' ' ' THR . 72.9 p -88.02 141.91 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 44.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.485 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.407 ' H ' ' C ' ' B' ' 7' ' ' THR . 82.0 p -141.76 -18.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.43 65.71 0.52 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -175.17 122.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.611 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -107.61 114.93 29.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.97 145.1 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -117.52 119.62 35.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.168 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.03 138.13 53.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -90.18 114.9 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.334 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' B' ' 56' ' ' LEU . 14.2 m -131.4 -171.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.473 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 23.6 mt-10 -133.79 144.58 52.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.3 -19.57 0.67 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.934 2.423 . . . . 0.0 112.341 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -98.3 12.76 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.645 0.26 . . . . 0.0 111.093 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.6 m-20 -84.58 135.37 34.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 36.1 p -81.55 145.23 30.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.718 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.9 mm -51.89 -41.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.162 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' OG1' ' B' ' 22' ' ' THR . 14.5 pt-20 -55.93 -42.12 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.105 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -62.5 -39.67 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.19 -53.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -49.79 -42.22 46.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.145 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' B' ' 32' ' ' ASP . . . -59.69 -45.99 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -56.37 -49.35 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -56.28 -47.55 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -55.14 -29.39 57.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.374 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' B' ' 28' ' ' ALA . 3.7 m-20 -72.41 -42.45 65.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -69.65 -64.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -84.34 -104.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.68 9.12 0.02 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 42.1 mt -70.51 128.67 90.92 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.604 0.24 . . . . 0.0 110.526 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.06 137.1 25.87 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.535 2.157 . . . . 0.0 111.898 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -42.05 23.43 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.785 2.323 . . . . 0.0 111.929 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.24 8.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' B' ' 38' ' ' PRO . 10.0 mt-30 -144.01 62.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -150.54 132.19 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -129.03 96.95 4.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.6 mt -86.81 127.87 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.645 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.48 143.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.435 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.651 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 76.2 t80 -133.12 178.07 7.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.651 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -36.96 -32.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -82.48 -89.12 0.68 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 tttt -153.24 -143.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -84.7 138.09 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.408 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -89.94 133.76 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 2.5 mp0 -94.74 157.16 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.585 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.97 168.56 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 80.53 -71.96 2.75 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' B' ' 53' ' ' GLY . 13.5 mmt180 -39.98 164.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 110.442 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 73.6 p -111.33 -179.76 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.666 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' B' ' 17' ' ' VAL . 56.1 mt -77.35 -3.38 39.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.423 ' C ' ' H ' ' B' ' 59' ' ' TYR . 13.9 t -87.18 -29.57 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -76.88 20.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' B' ' 57' ' ' SER . 94.7 m-85 -145.71 6.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 54.63 38.56 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -83.07 98.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -79.8 -163.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -82.17 160.49 23.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 59.63 29.21 18.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.832 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.38 169.74 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.332 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -133.33 90.33 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.471 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.72 124.09 30.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -83.74 105.13 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.4 tp -91.13 130.1 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.673 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.6 t -123.21 133.53 68.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.37 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.0 mp -89.38 155.91 19.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -104.73 70.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.415 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 15.5 mt 62.12 79.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -42.37 124.89 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.02 -161.43 13.15 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.926 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.832 0.348 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -88.98 116.83 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 28.6 pt -117.21 151.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.691 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -109.54 142.85 40.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.706 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 53.7 t -120.65 100.7 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.121 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -83.78 122.03 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.668 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -81.55 142.25 33.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.379 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -71.79 58.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -161.85 -59.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.9 70.61 0.03 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -171.82 157.46 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -143.99 107.12 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.01 136.6 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m -106.17 123.1 47.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.346 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -128.52 134.92 48.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -87.19 118.61 26.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.416 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' C' ' 56' ' ' LEU . 3.8 m -138.44 -166.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.492 ' N ' ' OD2' ' C' ' 21' ' ' ASP . 39.1 mt-10 -145.45 152.49 49.9 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.398 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.03 -48.57 10.86 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.068 2.512 . . . . 0.0 112.321 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.403 ' O ' ' C ' ' C' ' 21' ' ' ASP . 0.8 OUTLIER -57.91 -40.05 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.865 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' C' ' 18' ' ' GLU . 5.1 m-20 -39.66 139.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 55' ' ' THR . 6.7 p -94.59 145.23 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 mm -46.49 -52.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.288 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -46.81 -44.04 18.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.21 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 8.6 t30 -58.92 -45.78 89.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.069 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.31 -48.49 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.036 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -53.38 -35.65 60.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.055 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -64.76 -44.62 89.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -60.02 -39.8 87.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.374 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.92 -35.9 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.447 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.83 -35.43 81.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -73.67 -28.54 61.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -79.1 -63.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -85.19 -96.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.44 23.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 45.1 mt -97.21 99.43 6.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.694 0.283 . . . . 0.0 110.541 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.9 Cg_endo -45.22 144.73 4.03 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.645 2.23 . . . . 0.0 111.918 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.55 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.9 Cg_endo -45.7 -46.14 15.53 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.779 2.32 . . . . 0.0 111.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -70.52 29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.55 ' H ' ' C ' ' C' ' 38' ' ' PRO . 64.9 mt-30 -156.0 45.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 73.7 mt-30 -143.32 173.98 11.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.494 ' NH1' ' OG1' ' A' ' 516' ' ' THR . 23.1 ttm180 -166.06 93.24 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 14.5 mt -80.84 115.24 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.467 HD12 HG21 ' C' ' 70' ' ' VAL . 6.5 mt -112.21 136.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.489 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -143.49 129.0 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.64 28.01 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.63 53.56 8.33 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -165.42 133.49 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.718 0.294 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' NH1' ' C' ' 42' ' ' ARG . 72.9 mt-30 -79.67 130.26 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -82.82 129.8 35.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.573 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' C' ' 51' ' ' GLU . 4.1 mp0 -81.34 158.63 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.588 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 171.68 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.42 -57.7 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' C' ' 54' ' ' ARG . 36.6 mmt-85 -44.08 146.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.626 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' C' ' 22' ' ' THR . 14.8 p -94.76 154.22 17.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.595 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' C' ' 17' ' ' VAL . 89.9 mt -56.19 -16.92 6.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.55 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -78.8 -30.97 45.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.71 -41.0 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -86.65 0.86 53.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.416 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' C' ' 60' ' ' ASN . 0.4 OUTLIER 71.28 -1.54 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.731 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' C' ' 60' ' ' ASN . 68.6 mt -40.34 98.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.459 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' C' ' 62' ' ' GLN . 11.8 mp0 -80.21 -157.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 158.07 19.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 59.03 34.81 23.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 37.4 m -85.05 164.06 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.407 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -121.56 98.62 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.551 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.6 115.98 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -77.37 98.09 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.39 122.45 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.559 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.601 HG12 ' H ' ' C' ' 71' ' ' LEU . 2.4 t -131.24 171.73 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.623 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.601 ' H ' HG12 ' C' ' 70' ' ' VAL . 29.5 mt -110.67 166.83 10.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -145.72 159.35 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -159.6 124.72 4.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.613 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -46.96 160.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.88 -113.78 0.66 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.16 172.29 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 486' ' ' SER . 4.0 tppt? -166.51 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 14.4 pt -53.29 -11.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 33.0 p -63.87 -36.1 82.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 90.1 p -65.42 -56.9 9.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.27 16.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -71.35 -72.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 12.1 mm -49.71 -45.76 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 491' ' ' LEU . 1.6 tt -47.44 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -50.71 -49.46 40.58 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -53.27 -45.12 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.63 -38.48 58.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 10.0 mm -89.1 -12.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -70.11 -79.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.641 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -77.4 27.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -44.19 -65.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -106.59 71.19 0.22 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 87.5 p -162.47 93.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -76.69 54.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.498 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 49.9 t30 -72.59 -171.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.498 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -109.51 0.44 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -84.87 -40.74 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.295 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.63 -58.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.369 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.547 ' CD2' HD22 ' A' ' 530' ' ' LEU . 9.0 mt -78.68 -18.77 53.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.22 -10.0 64.96 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 5.2 tp -125.51 -46.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 509' ' ' LEU . 10.8 mp -67.71 -52.79 33.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.554 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 1.5 tp -51.64 -59.09 8.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.81 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.597 ' O ' ' N ' ' A' ' 515' ' ' SER . 2.6 Cg_endo -46.81 -44.31 22.39 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.383 2.056 . . . . 0.0 111.635 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.696 HG13 HD12 ' C' ' 8' ' ' LEU . 68.7 mt -63.66 -26.77 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.314 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -94.1 3.99 54.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -143.21 7.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.608 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.597 ' N ' ' O ' ' A' ' 511' ' ' PRO . 2.7 t -58.24 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.44 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 515' ' ' SER . 0.6 OUTLIER -171.38 -75.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.74 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -137.32 87.09 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 56.1 mt -117.83 149.86 46.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.16 107.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 111.995 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 22.1 pt -67.17 -2.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -73.96 -32.68 63.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 74.6 m -101.77 -45.47 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -45.3 -43.82 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.11 66.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.16 -53.86 53.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 529' ' ' ALA . . . -51.15 -53.18 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 8.5 t -44.54 -45.02 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.607 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.16 -37.44 82.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 526' ' ' ALA . . . -54.43 -42.0 70.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 506' ' ' LEU . 51.3 mt -65.9 -44.58 84.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.569 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.82 87.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -59.55 -48.97 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.662 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 535' ' ' VAL . 86.9 t -72.14 -58.85 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 537' ' ' THR . 41.2 m-85 -72.94 14.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 533' ' ' VAL . 11.4 p -46.99 -31.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -78.9 -79.56 0.79 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 1.7 t -72.92 -173.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.533 ' N ' ' OG1' ' A' ' 537' ' ' THR . 21.0 p -170.98 170.11 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.567 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 14.9 m-80 -156.84 178.79 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -91.72 -42.98 4.63 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -43.85 -31.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.662 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.4 -48.12 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.672 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 6.4 m -59.46 -58.96 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.8 p -41.99 -36.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 4.4 m -77.83 -60.33 2.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 550' ' ' PHE . 0.1 OUTLIER -46.19 -28.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.361 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 13.4 mmt -74.28 -58.22 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.603 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -39.08 -32.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.503 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -79.32 -48.51 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 546' ' ' ILE . 3.2 m-85 -52.91 -45.95 67.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 551' ' ' LEU . 7.0 mp -67.16 -50.51 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 516' ' ' THR . 62.8 mt-10 -72.81 33.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 551' ' ' LEU . 28.3 ptt-85 -65.04 135.8 56.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.422 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -13.21 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.677 ' C ' ' H ' ' A' ' 557' ' ' GLU . . . 59.71 12.65 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 556' ' ' ILE . 0.8 OUTLIER -62.03 23.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.92 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.677 ' H ' ' C ' ' A' ' 555' ' ' ALA . 4.2 mt-10 -118.13 -74.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.694 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 83.2 mt 40.24 25.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 557' ' ' GLU . 18.4 mtpp -130.51 -101.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 2.0 t -62.05 -179.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 560' ' ' THR . 56.2 p-10 -74.91 153.47 38.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 563' ' ' VAL . 12.2 p-90 -158.95 -52.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.602 ' N ' ' CG ' ' A' ' 562' ' ' TRP . 7.4 p -47.89 -20.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.01 -47.28 62.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.65 -46.06 89.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 566' ' ' LEU . 10.5 mp -61.35 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.446 HD13 ' C ' ' A' ' 568' ' ' LEU . 0.2 OUTLIER -61.04 -63.03 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -60.66 -70.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 51.4 tp -44.69 -22.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.572 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 569' ' ' ALA . . . -79.8 -77.46 0.94 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 572' ' ' ILE . 10.3 tp -50.39 -24.59 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.49 -61.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.489 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -88.79 179.99 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 26.8 ttt -173.42 -75.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -62.16 -150.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 53.86 -140.72 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 164.36 -80.37 0.12 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -47.0 -41.88 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.568 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -48.5 -50.45 31.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 584' ' ' VAL . 90.6 t -53.69 -53.44 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -40.01 -49.3 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.31 -41.89 85.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.47 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 581' ' ' VAL . 44.6 t -60.25 -48.18 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.64 -38.47 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.49 -35.59 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.498 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 590' ' ' ALA . 7.0 m -63.17 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.515 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 13.0 tt -41.45 -30.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 5.1 m -82.55 -35.9 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.342 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -53.71 -20.42 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 591' ' ' ILE . 5.1 mm -74.22 138.67 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -43.61 149.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.453 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 33.8 m170 55.37 81.08 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.42 49.37 2.05 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.853 2.369 . . . . 0.0 112.095 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.1 tpt -67.76 -22.15 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.404 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 599' ' ' ILE . 16.9 p -62.83 -0.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 595' ' ' MET . 8.0 t -37.88 -38.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.71 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 596' ' ' THR . 11.5 mm -59.56 -47.87 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -49.62 -36.91 25.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 46.8 t -76.45 -27.15 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.614 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 22.0 tp -74.97 -56.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -30.35 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -72.06 -38.26 59.74 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 18.0 t -69.39 -27.12 65.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.487 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 85.5 m -141.55 119.76 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -178.18 -32.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 608' ' ' TYR . 24.8 m-85 -79.65 58.85 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 94.0 m -49.97 -34.4 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . 45.24 -166.77 0.04 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 24.7 p -77.78 155.73 30.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.762 0.315 . . . . 0.0 110.661 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.702 0 CA-C-O 117.973 -1.46 . . . . 0.0 110.914 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.403 ' N ' ' O ' ' B' ' 17' ' ' VAL . 29.0 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -89.01 129.67 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 pt -135.44 144.39 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.595 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.419 ' O ' HD12 ' B' ' 67' ' ' LEU . 97.2 m-85 -97.05 142.93 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.8 t -129.78 106.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -88.27 127.38 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.68 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 9' ' ' THR . 30.0 p -94.58 145.04 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.347 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.29 39.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.516 ' H ' ' C ' ' B' ' 7' ' ' THR . 76.1 p -146.63 5.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.53 76.25 1.16 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -173.89 116.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -102.15 126.62 49.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.373 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -114.65 136.5 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.745 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.8 m -105.46 114.6 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.23 132.96 53.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -91.86 75.1 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' B' ' 56' ' ' LEU . 11.5 m -98.25 -165.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.765 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 1.2 mt-10 -139.22 178.85 1.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.15 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.88 -28.25 9.56 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.835 2.357 . . . . 0.0 112.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.68 19.41 6.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.61 131.32 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.419 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 2.4 p -83.41 143.79 30.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.578 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mm -45.84 -47.71 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -50.57 -47.46 57.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 2.5 m-20 -58.29 -42.1 85.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.331 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.78 -54.45 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.286 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -50.69 -34.0 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.252 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -65.18 -48.94 71.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.306 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -57.35 -36.1 70.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.319 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.6 mt -68.02 -43.01 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.06 -34.93 72.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.398 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' B' ' 28' ' ' ALA . 27.4 m-20 -71.88 -33.95 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -71.57 -56.96 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -95.74 -83.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 155.1 6.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 58.7 mt -75.89 112.68 21.39 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.648 0.261 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 2.8 Cg_endo -45.97 138.14 12.49 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.664 2.243 . . . . 0.0 111.818 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.26 -62.36 0.46 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.845 2.364 . . . . 0.0 111.952 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -39.9 -34.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -96.11 60.32 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.701 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 64.6 mt-30 -155.77 114.23 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 72' ' ' ARG . 97.3 mtt180 -109.54 102.09 10.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.37 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 26.0 mt -88.21 125.06 34.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -116.51 140.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' B' ' 47' ' ' GLY . 86.2 t80 -163.51 160.85 23.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.439 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . 64.73 -66.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 178.62 13.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -152.65 -174.01 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 110.673 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -93.92 154.16 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.4 129.22 39.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -80.13 150.67 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.603 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -77.43 99.45 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 152.52 -61.33 0.39 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.409 ' H ' ' HG2' ' B' ' 54' ' ' ARG . 40.9 mmt-85 -46.33 169.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -112.57 163.09 14.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' B' ' 17' ' ' VAL . 64.7 mt -67.49 -2.99 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -93.6 -14.27 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.615 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -83.15 -34.46 26.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -89.04 13.52 12.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 m120 55.32 29.35 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -76.91 104.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.461 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.67 -157.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.26 159.96 24.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.662 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 58.6 34.09 23.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.8 m -89.71 123.92 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.4 m -95.44 103.11 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.598 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.492 ' H ' HD12 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -102.47 143.76 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -87.06 157.83 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.333 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.754 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.2 tt -144.88 122.31 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.679 ' N ' HD23 ' B' ' 69' ' ' LEU . 11.6 t -119.14 117.69 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.389 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.544 ' H ' HD23 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -90.63 133.82 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.64 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HE ' ' HE ' ' B' ' 42' ' ' ARG . 83.6 mtt180 -66.42 85.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 12.5 mt 58.79 170.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.04 120.47 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.5 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.05 -74.35 1.14 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.828 0 CA-C-O 117.995 -1.447 . . . . 0.0 110.923 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -113.33 116.89 30.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.84 153.29 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.705 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -112.05 154.24 25.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.551 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -130.16 103.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.126 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -92.17 134.88 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.754 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 9' ' ' THR . 7.1 p -103.93 158.97 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.696 HD12 HG13 ' A' ' 512' ' ' ILE . 4.4 mm? -71.06 50.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.514 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.407 ' OG1' ' OG1' ' C' ' 7' ' ' THR . 62.6 p -151.6 1.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.74 77.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -83.95 151.48 25.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 22.2 m -141.11 136.76 32.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.456 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -122.48 125.36 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -96.03 119.99 35.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.364 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.63 138.64 52.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -88.17 125.89 34.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 m -143.28 -171.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 110.9 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 1.9 mt-10 -134.22 176.04 3.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.212 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.33 -25.26 11.54 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.788 2.325 . . . . 0.0 112.009 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -87.63 -5.06 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.699 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 8.5 m-20 -66.64 135.75 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.617 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' C' ' 25' ' ' ASN . 4.7 p -89.69 153.42 20.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.746 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -53.69 -46.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.384 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -53.35 -41.03 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.45 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 2.9 m-20 -62.43 -46.59 87.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.246 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.66 -51.89 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.264 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -52.12 -36.25 50.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.124 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -62.81 -45.76 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.185 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -59.88 -37.5 79.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -68.02 -31.22 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.36 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.441 ' OE1' ' C ' ' C' ' 36' ' ' ILE . 44.9 tp60 -70.04 -34.7 73.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.465 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -75.46 -24.29 56.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -86.27 -67.18 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -78.41 -90.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.81 17.55 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.528 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 53.4 mt -88.08 108.86 23.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.654 0.264 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.47 137.26 11.42 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.65 2.233 . . . . 0.0 111.905 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' C' ' 40' ' ' GLN . 2.7 Cg_endo -46.53 -53.72 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.789 2.326 . . . . 0.0 111.974 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.44 -0.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.739 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.521 ' H ' ' C ' ' C' ' 38' ' ' PRO . 15.6 mm100 -126.46 50.33 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.564 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 65.1 mt-30 -147.97 168.72 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.649 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' C' ' 42' ' ' ARG . 3.3 tpm_? -162.86 114.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.3 114.5 26.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.534 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.406 HG21 HD13 ' C' ' 44' ' ' ILE . 3.2 mt -112.68 142.56 24.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -147.68 125.83 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.15 33.51 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.05 37.12 50.25 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -140.91 115.14 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -78.11 134.09 37.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.513 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -87.14 126.77 34.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -76.65 158.12 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.24 99.29 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.21 -57.94 0.45 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -45.27 169.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -112.92 163.22 14.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.8 -8.11 26.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.4 p -87.6 -25.77 23.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.41 -41.24 80.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -86.09 11.18 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.431 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 55.86 20.36 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.697 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.95 99.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -81.28 -172.46 3.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.3 160.18 32.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 60.48 29.81 19.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.755 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 36.5 m -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.536 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -91.58 110.32 21.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.33 131.04 37.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -82.28 101.66 10.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -83.97 127.46 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.427 ' C ' HD22 ' C' ' 71' ' ' LEU . 0.2 OUTLIER -145.3 172.28 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.533 ' N ' HD22 ' C' ' 71' ' ' LEU . 3.8 mm? -95.74 167.36 11.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.377 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -136.79 162.41 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -175.99 110.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -66.41 152.7 44.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.47 148.99 8.4 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -70.65 87.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -167.25 8.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 13.6 pt -56.8 -27.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 489' ' ' ALA . 64.0 m -55.51 -53.71 53.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 8.7 m -49.13 -44.33 42.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.93 -36.41 83.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 486' ' ' SER . . . -53.91 -65.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 89.3 mt -58.21 -16.51 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 491' ' ' LEU . 1.9 tt -77.77 -68.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.75 99.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 497' ' ' PHE . 5.1 tp -58.4 -46.17 86.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.566 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -55.41 -37.32 65.72 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 495' ' ' ILE . 68.1 mt -91.91 -8.46 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.564 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 498' ' ' ALA . . . -71.14 -68.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.513 ' C ' ' H ' ' A' ' 499' ' ' GLY . 50.1 p90 -74.26 23.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 496' ' ' ALA . . . -57.97 -2.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -70.09 -127.27 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 42.0 t -84.17 -103.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.315 . . . . 0.0 110.535 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -160.8 92.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -57.21 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -172.8 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -75.31 -23.7 57.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.203 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.507 HG11 ' CD2' ' A' ' 497' ' ' PHE . 1.3 t -52.77 -65.19 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.323 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.419 HD21 ' CE1' ' A' ' 534' ' ' PHE . 7.2 mt -71.54 -20.12 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.551 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -74.58 -6.87 78.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 36.8 tp -128.06 -48.92 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 509' ' ' LEU . 11.2 mp -68.03 -45.15 74.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 511' ' ' PRO . 2.7 tp -59.19 -58.82 16.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.22 -42.46 21.77 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.466 2.111 . . . . 0.0 111.586 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.72 -34.84 66.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -88.17 18.72 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -172.9 26.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.1 OUTLIER -72.71 -69.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.404 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.43 ' N ' ' OG ' ' A' ' 515' ' ' SER . 0.5 OUTLIER -170.93 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 518' ' ' LEU . 6.8 p-10 -158.52 -95.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 517' ' ' ASP . 14.9 mt 59.32 147.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.13 169.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.776 2.317 . . . . 0.0 111.953 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 13.2 mt -96.98 -50.98 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.56 -36.73 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.617 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . . . . . . . . . 20.6 p -72.91 -68.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -49.34 -31.52 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -63.35 -66.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 9.7 tpt -46.45 -39.47 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -62.58 -59.5 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 56.3 p -46.21 -36.46 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.496 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -58.97 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.25 89.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 530' ' ' LEU . 0.2 OUTLIER -45.14 -53.64 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 535' ' ' VAL . . . -66.55 -50.95 61.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -41.62 -54.86 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 535' ' ' VAL . 91.1 t -67.54 -56.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.419 ' CE1' HD21 ' A' ' 506' ' ' LEU . 38.2 m-85 -76.89 27.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.458 ' H ' ' C ' ' A' ' 533' ' ' VAL . 7.4 p -64.89 -36.63 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -60.56 -90.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 538' ' ' CYS . 4.9 t -67.86 -169.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.551 ' SG ' ' N ' ' A' ' 539' ' ' ASN . 42.6 t -167.83 171.96 9.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.551 ' N ' ' SG ' ' A' ' 538' ' ' CYS . 68.8 m-80 -160.44 165.12 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -79.23 -35.85 28.94 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -47.4 -42.81 22.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.59 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.43 -43.15 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 86.9 m -65.48 -66.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 80.5 p -39.99 -35.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.427 ' OG ' ' CD2' ' B' ' 73' ' ' LEU . 11.5 m -76.21 -55.88 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.314 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -32.21 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.403 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.4 tpt -68.18 -57.72 5.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -40.65 -38.49 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -48.7 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.528 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -47.46 -53.33 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.442 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 551' ' ' LEU . 10.7 mp -56.57 -42.19 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.506 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -87.4 30.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -137.21 77.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.566 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.459 ' C ' ' H ' ' A' ' 556' ' ' ILE . 72.3 p -93.38 136.77 33.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -54.58 -8.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.292 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.459 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.1 OUTLIER -48.73 -30.55 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.5 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -82.26 -87.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 13.8 mt -102.48 175.46 5.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -172.9 91.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 561' ' ' ASP . 0.0 OUTLIER -158.9 -100.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.559 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.54 ' N ' ' OG1' ' A' ' 560' ' ' THR . 46.9 m-20 -111.44 94.16 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.491 ' CD1' ' N ' ' A' ' 562' ' ' TRP . 8.6 p-90 -156.07 -50.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.465 HG23 ' CE2' ' A' ' 562' ' ' TRP . 20.3 t -42.05 -44.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' A' ' 567' ' ' ALA . 69.9 mtp180 -45.68 -73.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -40.29 -62.05 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 566' ' ' LEU . 9.7 mp -43.46 -27.53 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.512 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 564' ' ' ARG . . . -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 568' ' ' LEU . 11.0 mp -50.98 -45.64 61.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -64.64 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 45.9 tp -43.66 -25.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.542 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . . . . . . . . . . . -76.21 -70.35 1.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 572' ' ' ILE . 66.2 mt -64.66 -8.92 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.794 0.331 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.52 -20.8 14.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -116.52 162.12 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 77.6 mtp -83.35 22.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . 83.92 -71.01 3.06 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -80.12 143.14 34.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.328 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . 142.33 116.06 1.17 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -45.97 -25.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -44.73 -48.47 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.83 -44.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -47.35 -43.82 23.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.98 -48.15 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.472 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 65.0 t -44.65 -53.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 53.0 mt -57.13 -47.75 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.69 -36.05 34.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 590' ' ' ALA . 13.6 m -63.69 -51.54 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.474 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 95.1 mt -48.85 -28.7 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 39.5 t -81.01 -26.54 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -74.3 -26.39 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 592' ' ' GLU . 4.3 tp -102.66 146.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . 0.466 ' O ' ' O ' ' A' ' 591' ' ' ILE . 36.2 mt-10 -53.73 -110.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.7 OUTLIER 39.83 75.72 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.589 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.21 10.45 1.78 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.011 2.474 . . . . 0.0 111.932 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 9.3 mmt -95.58 -33.62 12.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 66.2 p -63.27 -13.89 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 20.4 p -43.18 -44.29 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -54.53 -49.13 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 35.6 mt -56.22 -40.21 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.611 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -55.04 -34.46 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.34 -51.81 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 602' ' ' LEU . 18.1 mt -47.46 -69.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.584 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 7.3 t -54.67 -28.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -56.2 -54.89 32.46 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 11.2 t -64.48 -68.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 69.1 m -82.25 118.92 23.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . 179.18 -82.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -76.73 -4.45 43.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 30.8 m -65.83 -24.78 66.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -53.51 146.53 20.68 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 86.3 m -47.05 112.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 CA-C-O 117.973 -1.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -96.17 115.82 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -106.07 148.44 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.426 ' CE1' ' OG1' ' B' ' 14' ' ' THR . 78.6 m-85 -105.08 129.98 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.11 99.83 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.376 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -76.85 119.92 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.658 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 67.1 p -91.66 141.95 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.596 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -64.9 -28.58 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.439 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -64.5 -36.47 84.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.498 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.75 70.54 0.2 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -175.94 122.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.6 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -97.73 111.82 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -96.34 127.77 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.426 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 3.4 m -101.06 122.88 44.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.184 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -126.5 137.61 53.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -86.53 112.75 21.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.8 -178.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.524 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 1.1 mt-10 -126.82 176.94 2.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.258 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 18' ' ' GLU . 3.3 Cg_exo -74.92 -26.29 11.24 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.762 2.308 . . . . 0.0 112.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -88.13 -0.46 57.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.571 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 17.4 m-20 -71.01 134.82 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.495 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -87.52 146.87 25.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.711 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.0 mm -48.37 -59.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -43.83 -36.01 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.76 -47.18 79.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.194 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.91 -47.23 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.24 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -54.97 -36.18 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.19 -50.91 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -54.86 -40.72 69.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.356 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.5 mt -63.1 -48.72 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.51 -38.81 60.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.439 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.491 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -75.22 -62.68 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -85.45 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' B' ' 36' ' ' ILE . . . 173.87 6.18 0.03 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 33.7 mt -79.81 132.01 62.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.607 0.241 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.3 Cg_exo -73.71 143.23 33.44 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.629 2.219 . . . . 0.0 111.961 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.688 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.8 Cg_endo -46.37 -50.56 10.05 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.865 2.377 . . . . 0.0 111.959 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 39' ' ' ASP . 0.8 OUTLIER -62.49 21.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.711 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.688 ' H ' ' C ' ' B' ' 38' ' ' PRO . 62.8 mt-30 -153.23 46.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -146.58 133.17 19.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -126.2 108.54 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -97.88 115.2 27.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.4 mt -104.22 142.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' B' ' 47' ' ' GLY . 72.2 t80 -167.51 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 48' ' ' LYS . . . -69.27 57.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . 61.94 -4.94 0.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' B' ' 46' ' ' ALA . 34.6 mtpt -153.21 -166.53 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.65 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -92.99 145.41 24.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mt -83.31 131.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -80.72 158.65 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -75.88 125.27 28.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 125.36 -62.64 0.59 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 53' ' ' GLY . 12.7 mmt180 -42.98 168.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.603 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.486 ' C ' ' H ' ' B' ' 57' ' ' SER . 21.4 p -116.83 157.76 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.01 -0.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.486 ' H ' ' C ' ' B' ' 55' ' ' THR . 3.8 t -94.48 -35.95 12.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -38.92 88.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -87.0 4.81 40.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 60.0 26.57 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.651 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.5 97.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.448 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' B' ' 65' ' ' SER . 36.4 mt-30 -72.55 -159.02 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -87.7 162.13 17.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 30.05 17.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.784 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 62' ' ' GLN . 1.4 m -83.01 131.85 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.37 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -94.78 105.24 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.27 174.89 7.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.427 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -124.43 100.87 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -85.59 132.84 34.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.0 t -144.03 106.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.654 HD23 ' N ' ' B' ' 71' ' ' LEU . 1.4 pt? -75.89 164.81 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -69.47 -109.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.456 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.427 ' CD2' ' OG ' ' A' ' 545' ' ' SER . 42.1 mt -133.22 129.69 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.553 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -50.76 152.77 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.8 -98.79 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 118.042 -1.421 . . . . 0.0 110.931 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.43 ' SD ' ' C ' ' C' ' 18' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.21 110.45 21.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -106.5 153.2 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -109.84 153.19 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.692 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 59.8 t -131.95 101.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -85.22 136.78 33.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.411 ' O ' ' N ' ' C' ' 9' ' ' THR . 53.7 p -102.01 142.04 33.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.83 64.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.411 ' N ' ' O ' ' C' ' 7' ' ' THR . 7.2 m -166.2 -51.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.15 68.49 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -173.02 131.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 69.0 m -116.75 119.71 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.414 HD13 HG21 ' C' ' 13' ' ' ILE . 1.4 mt -101.48 124.75 55.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.692 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . . . . . . . . . 35.4 m -92.4 126.24 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.26 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.84 130.94 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -86.79 119.7 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.214 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' C' ' 1' ' ' MET . 5.4 m -140.15 -161.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.43 ' C ' ' SD ' ' C' ' 1' ' ' MET . 1.6 mt-10 -143.73 175.4 2.86 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -75.07 -25.85 11.36 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.744 2.296 . . . . 0.0 112.111 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.84 2.59 53.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.625 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.69 137.56 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -87.49 142.74 27.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -48.23 -50.6 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.366 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.09 -37.44 33.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -65.19 -43.99 89.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.295 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.59 -50.05 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.451 ' HZ1' ' HA ' ' C' ' 42' ' ' ARG . 62.4 mttm -53.12 -41.49 65.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.253 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.83 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.261 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.25 -41.09 92.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.298 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.11 -38.91 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.341 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -61.82 -39.02 90.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -68.78 -27.96 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -78.59 -63.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.0 -102.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.481 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 36' ' ' ILE . . . -177.28 8.23 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.437 ' H ' ' H ' ' C' ' 35' ' ' GLY . 51.7 mt -82.11 129.97 61.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.68 0.276 . . . . 0.0 110.482 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 36' ' ' ILE . 3.3 Cg_exo -73.59 143.63 34.5 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.597 2.198 . . . . 0.0 111.939 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' C' ' 39' ' ' ASP . 2.7 Cg_endo -46.07 -67.04 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.846 2.364 . . . . 0.0 112.17 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' C' ' 38' ' ' PRO . 6.8 m-20 -35.41 -41.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -75.91 -45.06 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' C' ' 38' ' ' PRO . 73.3 mt-30 -46.37 168.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.451 ' HA ' ' HZ1' ' C' ' 27' ' ' LYS . 6.5 tpp180 -170.08 99.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 13.4 mt -83.15 122.97 29.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.46 HD12 HG21 ' C' ' 70' ' ' VAL . 8.5 mt -122.74 132.73 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' C' ' 48' ' ' LYS . 70.5 t80 -132.58 135.83 46.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' C' ' 48' ' ' LYS . . . 44.15 43.45 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.52 -13.12 1.69 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' C' ' 45' ' ' PHE . 5.9 mtpm? -85.59 110.34 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.331 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -70.57 126.14 28.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.49 141.65 34.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -101.32 159.1 15.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.576 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.91 145.39 38.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 105.18 -58.67 0.46 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 53' ' ' GLY . 15.8 mmt180 -47.62 177.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.595 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -121.19 163.77 17.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.84 -7.23 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 13.0 p -88.72 -39.12 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.0 -39.19 71.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -85.21 -3.51 58.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 68.65 17.51 8.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 74.5 mt -58.53 97.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -73.75 -172.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.74 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.86 159.32 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.736 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 60.65 28.94 18.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.1 m -84.75 126.87 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -88.29 100.0 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.552 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -87.4 125.23 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.521 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.23 107.48 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 16.8 tp -81.44 129.34 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.606 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.6 t -141.63 174.95 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.604 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.606 ' H ' HG12 ' C' ' 70' ' ' VAL . 24.4 mt -113.73 149.68 34.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 35.7 ttt85 -108.18 158.82 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -173.21 98.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.479 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -69.31 176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.82 -148.72 5.45 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.68 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 485' ' ' ILE . 47.8 p -72.1 148.83 45.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.526 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -72.93 17.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . 0.512 HG23 ' N ' ' A' ' 486' ' ' SER . 20.0 tt -46.6 -41.63 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.512 ' N ' HG23 ' A' ' 485' ' ' ILE . 29.5 t -50.67 -58.13 6.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 17.6 p -47.29 -42.07 20.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 485' ' ' ILE . . . -57.61 -35.73 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -62.11 -58.45 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . 0.427 HG12 ' H ' ' A' ' 490' ' ' ILE . 9.0 mm -47.51 -46.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 34.9 tp -50.87 -45.96 60.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -54.12 -56.07 23.07 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 493' ' ' LEU . 10.6 mp -47.96 -48.1 32.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -49.52 -37.6 26.49 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 495' ' ' ILE . 67.3 mt -82.73 -12.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -78.28 -53.08 7.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . 0.491 ' C ' ' H ' ' A' ' 499' ' ' GLY . 13.5 m-85 -57.07 -20.92 27.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -65.85 5.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 497' ' ' PHE . . . -87.38 -97.66 0.88 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.8 t -94.89 -18.94 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.456 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 6.3 ttpm? 58.64 80.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.506 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.517 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 5.9 t-20 -86.43 -166.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.517 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 24.8 t70 -99.33 6.87 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.77 -33.09 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 110.153 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.48 ' H ' HG23 ' A' ' 505' ' ' VAL . 1.9 t -47.88 -62.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.29 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 506' ' ' LEU . 10.1 mp -71.45 -22.37 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -67.78 -9.93 57.21 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 33.8 tp -129.41 -44.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.5 -52.25 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.621 ' HB3' ' CD ' ' A' ' 511' ' ' PRO . 15.4 tp -50.0 -59.87 6.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.857 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.621 ' CD ' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -46.6 -51.81 8.41 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.45 2.1 . . . . 0.0 111.614 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.19 -23.11 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -106.55 16.88 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.594 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . . . . . . . . . . . -168.4 24.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.701 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 511' ' ' PRO . 0.7 OUTLIER -69.95 -48.29 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.41 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.444 ' HG1' ' C ' ' A' ' 515' ' ' SER . 2.8 m -169.93 -57.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -173.9 31.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.72 151.11 1.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.536 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.78 150.2 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.794 2.329 . . . . 0.0 111.932 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 520' ' ' ILE . 67.9 mt -69.28 -4.36 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.536 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.71 -78.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 522' ' ' THR . 0.1 OUTLIER -58.82 -39.8 82.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -44.02 -55.83 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -61.13 -61.08 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 528' ' ' LEU . 21.6 mmt -41.82 -70.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . . . . . . . . . . . -42.87 -58.08 2.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 14.8 m -51.5 -30.33 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 528' ' ' LEU . 1.8 tt -58.69 -62.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.55 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -60.3 -33.11 71.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 530' ' ' LEU . 2.0 tt -56.28 -68.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.4 74.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -44.84 -45.09 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 535' ' ' VAL . 89.3 t -76.37 -64.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.692 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 506' ' ' LEU . 20.8 m-85 -73.21 29.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 533' ' ' VAL . 13.1 p -54.18 -29.12 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . . . . . . . . . . . -96.86 -74.78 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 537' ' ' THR . 0.0 OUTLIER -59.48 109.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.557 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . . . . . . . . . 8.6 p -105.79 -178.26 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 540' ' ' GLY . 52.3 t-20 -171.53 151.77 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.6 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 539' ' ' ASN . . . -65.68 -45.48 88.86 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . 0.493 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 59.3 m-20 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.512 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 93.9 mt -56.81 -51.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 544' ' ' THR . 61.6 m -60.85 -67.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 543' ' ' THR . 50.8 p -38.13 -44.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' B' ' 73' ' ' LEU . 11.2 m -67.13 -52.62 39.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.338 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -26.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.367 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 3.5 tpt -68.37 -49.1 62.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.43 -43.21 67.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.417 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.62 -34.35 76.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.79 -30.81 61.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 553' ' ' ARG . 1.1 tt -62.38 -55.37 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -74.01 21.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.476 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 551' ' ' LEU . 47.1 ttp85 -121.26 104.08 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.609 ' C ' ' H ' ' A' ' 556' ' ' ILE . 72.4 p -109.41 136.75 48.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.487 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.486 ' O ' HD21 ' A' ' 558' ' ' LEU . . . -56.37 -0.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.227 0.537 . . . . 0.0 109.741 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.609 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -65.61 -30.84 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.438 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -93.68 70.29 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.486 HD21 ' O ' ' A' ' 555' ' ' ALA . 60.7 mt -77.57 111.17 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.465 ' O ' ' NE1' ' A' ' 562' ' ' TRP . 43.2 mtmt -146.26 107.22 4.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 562' ' ' TRP . 1.2 m 59.05 167.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.42 ' H ' HG22 ' A' ' 560' ' ' THR . 1.5 p30 -80.19 147.21 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 560' ' ' THR . 12.6 p-90 179.09 -6.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.401 ' H ' ' H ' ' A' ' 562' ' ' TRP . 21.9 t -61.56 -16.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.613 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -66.66 -75.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.59 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -48.92 -43.34 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.29 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -45.74 -51.99 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 571' ' ' GLY . 15.8 tp -46.01 -62.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 571' ' ' GLY . . . -41.4 -71.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.01 -21.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 568' ' ' LEU . . . -80.72 -74.18 1.14 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 20.1 pt -58.28 -11.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 19.3 tp -46.85 -66.33 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.432 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.5 121.75 16.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 75.1 mtp -50.78 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -168.77 53.69 0.21 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -67.49 -140.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.542 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -161.95 -72.64 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -74.36 -28.8 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.514 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -55.3 -45.66 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.8 -48.12 81.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.605 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.08 -39.62 28.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.88 -44.65 84.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.77 -59.53 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.71 -46.39 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . 0.493 ' OE1' ' ND1' ' B' ' 68' ' ' HIS . 4.6 tm-20 -57.59 -36.9 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.474 ' OG1' ' CE1' ' B' ' 68' ' ' HIS . 26.8 m -65.78 -53.17 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.2 mt -46.99 -29.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 68.8 m -75.5 -39.99 57.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' B' ' 44' ' ' ILE . . . -62.84 -14.64 48.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.569 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 69.6 mt -103.34 78.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 55.86 -139.76 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . 0.483 ' ND1' ' N ' ' A' ' 593' ' ' HIS . 0.6 OUTLIER -169.73 73.31 0.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.649 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.64 -160.25 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.964 2.443 . . . . 0.0 112.025 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . . . . . . . . . 52.8 mtp -84.41 18.93 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -74.82 -13.64 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . . . . . . . . . 30.2 t -41.96 -45.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.53 66.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . . . . . . . . . 39.6 mt -70.38 -33.56 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -59.04 -38.47 79.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 74.1 t -74.01 -32.11 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 602' ' ' LEU . 1.8 tt -62.19 -67.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 48.9 t -54.26 -30.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -61.79 -51.92 54.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 79.8 p -54.8 -46.13 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 607' ' ' ALA . 11.2 t -79.64 119.86 23.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 606' ' ' CYS . . . 173.53 -174.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -56.36 140.0 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . . . . . . . . . 28.3 p -74.99 -81.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.546 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . . . . . . . . . . . -165.06 125.62 1.39 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 94.6 m -60.93 -51.55 68.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.9 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.439 ' O ' ' OE1' ' B' ' 64' ' ' GLU . 78.0 mt-30 -91.13 106.6 18.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -101.02 150.42 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.41 140.42 37.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.67 102.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.251 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -83.93 119.26 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.664 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -91.58 142.17 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.439 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.568 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -59.09 -24.52 63.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.501 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.1 p -77.23 0.81 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.649 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.28 79.35 0.99 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -172.6 113.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.7 m -94.28 118.54 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.9 136.85 43.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.642 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -104.87 121.08 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.5 133.93 47.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -81.51 124.73 29.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.449 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 m -147.59 176.42 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.656 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 21.1 mt-10 -133.3 152.78 80.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.337 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 -34.54 10.01 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.889 2.392 . . . . 0.0 112.188 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -35.09 73.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.712 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.656 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.0 m-20 -42.54 138.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 25' ' ' ASN . 5.4 p -93.77 140.46 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.8 mm -41.53 -49.83 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.379 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -52.61 -39.81 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' B' ' 22' ' ' THR . 21.9 t-20 -61.66 -45.92 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.341 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.07 -50.81 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -49.91 -42.11 47.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.91 92.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.38 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -56.14 -41.86 76.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.88 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.69 -32.34 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.494 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -76.32 -30.08 57.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.544 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -76.16 -61.39 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.08 -79.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.495 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.85 -0.31 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -70.9 126.52 92.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.679 0.276 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 3.2 Cg_exo -73.37 142.06 32.81 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.588 2.192 . . . . 0.0 111.898 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.538 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.9 Cg_endo -46.22 -56.63 2.75 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.799 2.332 . . . . 0.0 111.995 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.13 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.538 ' H ' ' C ' ' B' ' 38' ' ' PRO . 80.3 mm-40 -127.14 65.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.537 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -151.73 152.19 32.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -145.56 102.12 3.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.519 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' ' OE1' ' B' ' 49' ' ' GLN . 14.1 mt -97.26 128.02 43.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.606 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.402 HG22 ' HB1' ' A' ' 590' ' ' ALA . 26.7 mt -123.54 141.9 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.652 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 62.4 t80 -130.75 177.39 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.652 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -33.76 -38.68 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.672 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -75.85 -90.13 0.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' H ' ' B' ' 49' ' ' GLN . 49.7 tttt -153.61 -141.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' B' ' 43' ' ' LEU . 9.2 tp-100 -84.21 132.49 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.457 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.71 125.74 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.65 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -83.5 159.78 21.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -70.92 159.82 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 88.14 -59.97 4.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 53' ' ' GLY . 11.5 mmt180 -42.86 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 110.603 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.513 ' C ' ' H ' ' B' ' 57' ' ' SER . 30.8 p -116.43 158.48 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.49 2.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.513 ' H ' ' C ' ' B' ' 55' ' ' THR . 38.4 t -96.38 -29.4 13.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -72.08 4.66 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -131.49 8.37 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 55.98 24.77 8.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.653 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.4 mt -68.92 102.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -83.2 -162.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -80.54 157.38 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' B' ' 2' ' ' GLN . 5.7 mm-40 60.1 25.73 15.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -82.05 131.67 35.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.628 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -89.11 121.41 31.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mt -112.22 120.69 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.493 ' ND1' ' OE1' ' A' ' 586' ' ' GLU . 0.2 OUTLIER -76.12 104.19 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.531 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.0 tp -94.77 134.85 36.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 t -140.37 140.83 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.639 ' N ' HD12 ' B' ' 71' ' ' LEU . 8.6 mp -83.68 134.38 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.522 ' HE ' ' NE2' ' B' ' 40' ' ' GLN . 54.5 ttm-85 -42.7 -66.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 545' ' ' SER . 56.3 tp -174.3 88.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.493 ' NH2' ' OD1' ' A' ' 541' ' ' ASP . 35.0 ttp85 -93.03 81.88 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.89 -119.27 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 CA-C-O 117.949 -1.473 . . . . 0.0 110.948 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.558 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -114.38 107.36 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 pt -100.38 152.75 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.595 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.409 ' CE1' HG23 ' C' ' 14' ' ' THR . 93.3 m-85 -111.68 149.71 31.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 69.1 t -125.25 103.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.319 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -83.38 147.14 28.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.47 ' C ' ' H ' ' C' ' 9' ' ' THR . 15.3 p -125.6 146.74 49.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -70.77 42.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.47 ' H ' ' C ' ' C' ' 7' ' ' THR . 49.2 p -151.47 33.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.496 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.61 71.73 0.65 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -169.61 126.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 11.8 m -121.41 115.6 23.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.411 HG21 HD13 ' C' ' 13' ' ' ILE . 3.1 mt -96.09 134.71 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.409 HG23 ' CE1' ' C' ' 4' ' ' PHE . 4.2 m -100.73 125.79 47.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.388 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -130.46 132.01 45.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.745 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.03 123.03 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.315 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.558 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.6 m -145.53 -174.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.651 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 7.0 mt-10 -138.76 147.79 55.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.294 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.8 -14.16 0.1 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.833 2.355 . . . . 0.0 112.252 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' C' ' 18' ' ' GLU . 1.0 OUTLIER -92.69 -23.96 18.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.651 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 0.9 OUTLIER -49.32 141.29 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.343 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.483 ' O ' ' N ' ' C' ' 25' ' ' ASN . 4.0 p -95.93 134.96 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.561 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' C' ' 22' ' ' THR . 26.7 mm -35.57 -56.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -46.74 -43.89 18.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' C' ' 22' ' ' THR . 0.4 OUTLIER -59.68 -43.76 93.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.376 179.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.97 -51.29 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.154 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -52.53 -33.39 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.69 -46.98 73.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.378 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -59.1 -35.69 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 11.1 mt -68.91 -45.95 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.405 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -57.71 -31.5 66.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -75.96 -32.12 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -73.96 -51.85 14.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -97.99 -107.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.33 18.99 0.05 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.469 HG22 ' O ' ' C' ' 40' ' ' GLN . 10.4 mt -94.15 103.28 10.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' C' ' 36' ' ' ILE . 2.8 Cg_endo -45.28 147.35 2.45 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.587 2.192 . . . . 0.0 111.849 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.98 -67.38 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.829 2.352 . . . . 0.0 112.06 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' C' ' 40' ' ' GLN . 6.6 p30 -42.47 -29.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . 0.481 ' N ' ' OD1' ' C' ' 39' ' ' ASP . 59.6 mm-40 -95.09 53.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' C' ' 36' ' ' ILE . 64.4 mt-30 -154.06 161.76 41.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.523 ' NE ' ' OE1' ' C' ' 49' ' ' GLN . 66.8 ttt180 -158.55 104.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.499 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.75 131.07 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.577 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.594 HD12 HG21 ' C' ' 70' ' ' VAL . 58.3 mt -128.14 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -142.41 128.89 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.52 23.32 10.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.65 40.22 15.69 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -147.06 125.21 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.523 ' OE1' ' NE ' ' C' ' 42' ' ' ARG . 13.5 tt0 -70.89 135.94 48.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.81 117.94 29.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.66 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -72.59 157.98 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -83.3 163.89 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.09 -33.63 3.77 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -77.06 169.88 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.769 0.319 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.431 ' OG1' ' OD1' ' C' ' 58' ' ' ASP . 22.9 p -108.97 164.25 12.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' C' ' 17' ' ' VAL . 86.6 mt -60.17 -35.6 75.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 42.7 t -66.62 -18.3 65.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' OG1' ' C' ' 55' ' ' THR . 8.2 m-20 -77.67 4.03 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.637 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -133.63 12.66 4.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 64.48 9.31 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.78 99.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.439 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.65 -158.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.676 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -85.71 159.09 19.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 53.86 30.16 11.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.622 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 43.1 m -78.53 129.95 35.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 30.4 m -89.84 99.23 12.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -80.98 168.61 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -121.78 103.03 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.3 135.1 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.594 HG21 HD12 ' C' ' 44' ' ' ILE . 2.9 t -142.08 153.84 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -110.82 104.63 13.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.7 179.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 tp -171.35 147.15 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -56.29 161.43 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.26 -143.07 3.56 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 10.1 t -161.69 -34.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LYS . . . . . . . . . . . . . 44.6 mttm 51.43 95.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ILE . . . . . . . . . . . . . 67.6 mt -62.25 -22.75 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 41.1 m -60.4 -39.73 88.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 75.3 p -63.65 -51.57 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.61 20.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ALA . . . . . . . . . . . . . . . -67.63 -71.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ILE . . . . . . . . . . . . . 97.2 mt -50.11 -23.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.45 -57.15 10.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . . . . . . . . . . . -55.5 -30.58 56.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.08 -51.45 64.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -53.54 -34.64 49.84 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 76.3 mt -76.11 -20.83 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.91 -39.64 62.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -46.05 -47.55 16.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' GLY . . . . . . . . . . . . . . . -100.39 41.48 2.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 6.4 t -161.52 -66.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.57 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 57.1 tttt 65.74 65.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.472 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' A' ' 503' ' ' ASP . 32.8 t-20 -91.59 -168.49 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.654 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 502' ' ' ASN . 2.8 p-10 -106.66 -12.49 15.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.65 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -78.27 -20.26 51.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.268 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 505' ' ' VAL . 1.8 t -55.7 -45.67 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.48 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 530' ' ' LEU . 3.6 mt -90.43 -18.97 24.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.422 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -70.71 -11.95 69.81 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.37 -44.12 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.73 0.3 . . . . 0.0 110.672 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 509' ' ' LEU . 87.6 mt -70.51 -54.88 10.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 511' ' ' PRO . 7.2 tp -47.42 -58.65 6.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.421 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 510' ' ' LEU . 2.6 Cg_endo -47.68 -50.33 11.76 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.417 2.078 . . . . 0.0 111.455 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . 0.827 ' O ' HD22 ' A' ' 518' ' ' LEU . 60.9 mt -52.63 -21.5 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.234 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -111.89 18.04 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.425 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ALA . . . . . 0.416 ' O ' HD11 ' B' ' 73' ' ' LEU . . . 178.86 70.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.488 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' SER . . . . . . . . . . . . . 52.0 p -148.8 12.53 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 73.92 104.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ASP . . . . . . . . . . . . . 35.1 t0 62.81 115.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.424 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 512' ' ' ILE . 0.8 OUTLIER -167.14 156.84 9.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' PRO . . . . . 0.46 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.8 Cg_endo -44.07 129.98 8.1 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.91 2.407 . . . . 0.0 112.029 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 555' ' ' ALA . 8.6 tt -79.93 -13.29 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.568 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 523' ' ' ALA . 30.1 mt-10 -74.08 -74.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.626 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 526' ' ' ALA . 80.2 p -64.39 2.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.702 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 519' ' ' PRO . . . -69.24 -68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 527' ' ' SER . . . -62.75 -55.6 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' MET . . . . . . . . . . . . . 43.6 mtt -43.28 -44.84 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 522' ' ' THR . . . -57.99 -59.74 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 524' ' ' ALA . 28.5 p -48.92 -15.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 528' ' ' LEU . 1.3 tt -78.48 -58.06 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.93 13.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.654 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 506' ' ' LEU . 95.8 mt -72.34 -75.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.568 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ALA . . . . . . . . . . . . . . . -39.65 -41.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.73 -49.45 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' A' ' 535' ' ' VAL . 74.7 t -76.54 -59.42 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.649 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' PHE . . . . . 0.415 ' CZ ' HD11 ' A' ' 506' ' ' LEU . 15.9 m-85 -67.52 10.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.698 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 533' ' ' VAL . 12.0 p -45.82 -41.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 535' ' ' VAL . . . -75.0 -54.28 5.83 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 47.3 p -68.1 -172.8 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.823 0.345 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 539' ' ' ASN . 13.6 t -173.86 137.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 538' ' ' CYS . 10.7 m120 -149.12 129.89 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' GLY . . . . . . . . . . . . . . . -54.71 -36.96 60.29 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -46.21 -40.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.27 -46.01 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' THR . . . . . . . . . . . . . 16.5 m -63.86 -64.82 0.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.5 p -42.18 -35.0 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.436 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 13.7 m -74.84 -50.94 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.322 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -36.39 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 2.0 tpt -66.01 -42.22 89.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.458 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.15 -42.86 63.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 553' ' ' ARG . 2.8 t-20 -63.87 -52.36 60.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.465 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -41.47 -31.74 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.433 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.24 -63.53 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 552' ' ' GLU . 1.1 mm-40 -81.69 18.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 549' ' ' ASN . 13.6 tpt180 -48.44 -94.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 556' ' ' ILE . 46.9 p 52.5 -146.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.428 ' O ' HD13 ' A' ' 520' ' ' ILE . . . 47.5 9.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.01 0.433 . . . . 0.0 110.055 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ILE . . . . . 0.587 ' H ' ' C ' ' A' ' 554' ' ' THR . 0.9 OUTLIER -68.02 -11.44 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.545 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -72.53 -14.14 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.533 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 559' ' ' LYS . 10.0 mt -95.23 109.1 21.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.608 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 558' ' ' LEU . 42.4 mttm 59.77 128.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.579 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 561' ' ' ASP . 81.3 p -78.64 -162.52 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.58 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 560' ' ' THR . 18.3 t70 54.46 107.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' TRP . . . . . 0.4 ' CE3' ' N ' ' A' ' 563' ' ' VAL . 57.0 p-90 -165.03 -41.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.565 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' VAL . . . . . 0.4 ' N ' ' CE3' ' A' ' 562' ' ' TRP . 7.4 p -54.29 -25.42 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -63.6 -71.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -55.65 -48.84 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.37 -48.35 62.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -67.61 -32.42 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.02 -48.99 77.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 571' ' ' GLY . . . -61.76 -75.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . . . . . . . . . 46.8 tp -42.63 -21.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 569' ' ' ALA . . . -77.93 -75.81 0.93 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.04 -28.99 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 26.5 tp -44.58 -52.58 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.11 101.6 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.585 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -85.47 -31.62 22.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLY . . . . . . . . . . . . . . . -83.88 177.16 52.22 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -150.51 119.53 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -174.27 -168.78 35.58 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -49.66 -35.34 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.538 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -42.72 -39.29 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.38 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 582' ' ' ASP . 0.9 OUTLIER -42.77 -44.48 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.84 -48.79 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.6 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' VAL . . . . . . . . . . . . . 99.4 t -46.68 -54.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 27.9 mt -51.82 -51.06 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.469 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.52 -34.92 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 590' ' ' ALA . 8.1 m -68.07 -52.03 39.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 97.1 mt -46.64 -27.32 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' SER . . . . . . . . . . . . . 42.7 t -80.12 -35.08 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 587' ' ' THR . . . -58.55 -25.41 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' ILE . . . . . . . . . . . . . 44.1 mt -95.43 146.05 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.67 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' HIS . . . . . . . . . . . . . 12.1 t60 54.25 77.38 0.44 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.79 15.12 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.904 2.403 . . . . 0.0 111.973 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' MET . . . . . 0.454 ' C ' ' H ' ' A' ' 597' ' ' SER . 11.0 tpt -73.65 -29.46 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.482 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 599' ' ' ILE . 39.0 p -59.65 -3.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 595' ' ' MET . 10.7 t -42.82 -32.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.79 -39.44 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 596' ' ' THR . 76.7 mt -69.7 -25.82 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.19 -39.13 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' VAL . . . . . . . . . . . . . 99.5 t -67.62 -52.71 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.498 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.37 -69.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.64 -45.85 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . -52.45 -42.82 57.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 7.4 t -65.27 -44.94 86.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' CYS . . . . . . . . . . . . . 28.1 t -80.3 120.22 24.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -174.22 173.21 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 610' ' ' GLY . 43.9 p90 -52.21 141.57 18.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 610' ' ' GLY . 82.8 p 49.11 -87.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 608' ' ' TYR . . . 166.67 -99.95 0.16 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' THR . . . . . . . . . . . . . 62.9 p -71.49 135.37 47.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.958 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.532 ' N ' ' O ' ' B' ' 17' ' ' VAL . 20.9 ttp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -85.53 106.44 16.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 pt -112.73 152.2 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.495 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -104.4 153.77 20.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.68 104.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.342 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -88.96 131.85 34.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.437 ' C ' ' H ' ' B' ' 9' ' ' THR . 17.9 p -100.21 143.72 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.468 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.465 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -64.28 -0.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 7' ' ' THR . 51.7 p -91.95 -34.89 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.2 71.21 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -174.74 137.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -113.72 120.02 39.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.556 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -106.38 140.61 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -110.63 123.58 50.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.21 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -126.85 137.44 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -91.19 109.78 21.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.4 m -131.6 -168.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.755 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.646 ' H ' ' CG ' ' B' ' 21' ' ' ASP . 10.9 mt-10 -142.07 150.2 55.03 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.329 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.65 -42.69 18.93 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.049 2.499 . . . . 0.0 112.572 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.3 t -72.58 -5.18 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.319 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.646 ' CG ' ' H ' ' B' ' 18' ' ' GLU . 5.5 m-20 -67.7 137.7 55.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.658 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 p -87.37 139.37 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -45.41 -48.05 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.355 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -50.92 -44.64 60.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.219 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.505 ' OD1' ' NZ ' ' B' ' 29' ' ' LYS . 10.5 t-20 -59.66 -40.49 87.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.269 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.23 -48.31 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.212 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -53.52 -41.14 66.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.177 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.35 97.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 25' ' ' ASN . 55.1 mttp -58.18 -45.14 88.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.406 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mt -61.36 -39.21 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -60.16 -40.48 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.403 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.28 -32.39 73.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -73.69 -62.44 1.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.32 -88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.06 16.84 0.03 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 15.8 mt -80.36 112.33 29.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.66 0.267 . . . . 0.0 110.549 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.45 134.15 16.19 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.568 2.179 . . . . 0.0 111.901 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' B' ' 40' ' ' GLN . 2.7 Cg_endo -46.3 -39.72 21.58 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.674 2.25 . . . . 0.0 111.989 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.4 15.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.517 ' H ' ' C ' ' B' ' 38' ' ' PRO . 18.1 mt-30 -147.74 55.78 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' B' ' 36' ' ' ILE . 72.2 mt-30 -149.09 93.7 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.643 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -89.89 104.31 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -98.91 130.9 45.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.403 HG21 HD13 ' B' ' 44' ' ' ILE . 11.5 mt -131.18 141.02 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.678 ' CG ' ' N ' ' B' ' 46' ' ' ALA . 57.6 t80 -131.71 170.89 14.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.678 ' N ' ' CG ' ' B' ' 45' ' ' PHE . . . -31.65 -50.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.28 -88.36 0.02 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -152.86 -143.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.305 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -88.07 133.89 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -85.07 102.63 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.79 158.63 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.46 172.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' B' ' 54' ' ' ARG . . . 72.18 -71.05 1.0 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' B' ' 53' ' ' GLY . 14.4 mmt180 -40.93 164.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.734 0.302 . . . . 0.0 110.602 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.8 p -114.15 166.97 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' B' ' 17' ' ' VAL . 63.2 mt -63.5 -16.39 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' B' ' 59' ' ' TYR . 26.4 p -76.35 -33.61 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.51 16.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.495 ' H ' ' C ' ' B' ' 57' ' ' SER . 73.3 m-85 -138.94 1.75 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.487 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.402 ' N ' ' ND2' ' B' ' 60' ' ' ASN . 2.5 m120 62.8 26.11 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.689 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.84 107.14 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.401 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -87.32 -159.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.758 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -86.68 161.24 18.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 56.63 25.61 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.74 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -77.89 166.63 22.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.396 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -122.46 102.33 8.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.659 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -87.02 161.4 18.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.342 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -119.94 105.22 10.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.461 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -89.0 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.552 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.5 t -149.32 106.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.493 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.755 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.8 pt? -85.21 147.78 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -67.17 -177.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 514' ' ' ALA . 17.3 mt -53.9 120.28 6.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -47.73 151.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.67 75.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.025 -1.43 . . . . 0.0 110.899 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' ' O ' ' C' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -101.32 112.34 24.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 19.6 pt -104.07 152.9 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -107.28 153.72 22.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -129.1 100.69 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.232 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -83.69 133.14 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.727 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p -83.88 -138.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.82 38.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 40.4 p -152.86 -27.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.68 70.89 0.06 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -171.85 137.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 110.561 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -131.39 109.18 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.59 139.43 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' THR . . . . . 0.562 ' C ' HD12 ' C' ' 15' ' ' LEU . 2.9 m -103.31 112.91 26.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.329 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.562 HD12 ' C ' ' C' ' 14' ' ' THR . 10.4 mp -115.47 128.19 55.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.827 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.11 113.72 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' C' ' 1' ' ' MET . 4.1 m -136.34 -175.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.949 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . 0.632 ' H ' ' CG ' ' C' ' 21' ' ' ASP . 2.0 mt-10 -135.44 178.99 1.5 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.117 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' C' ' 18' ' ' GLU . 3.2 Cg_exo -74.62 -25.2 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.749 2.299 . . . . 0.0 112.229 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 1.1 p -89.17 -5.46 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.632 ' CG ' ' H ' ' C' ' 18' ' ' GLU . 4.7 m-20 -66.24 139.0 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 3.7 p -90.26 139.55 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 23.4 mm -45.51 -51.63 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.298 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -47.95 -42.93 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.276 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' C' ' 28' ' ' ALA . 2.7 t30 -59.88 -48.02 83.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.44 -49.02 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.193 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -54.49 -33.11 59.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.208 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' C' ' 25' ' ' ASN . . . -66.17 -47.86 72.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.405 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.12 -38.02 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 13.7 mt -67.21 -39.81 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.458 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.25 -37.77 84.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.411 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.51 -27.45 63.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.518 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -77.04 -56.29 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -96.77 -93.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.26 12.03 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . 0.534 ' O ' ' NE2' ' C' ' 41' ' ' GLN . 18.4 mt -79.76 111.54 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.632 0.253 . . . . 0.0 110.524 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.63 138.07 14.87 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.53 2.154 . . . . 0.0 111.79 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.41 -39.14 21.74 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.736 2.29 . . . . 0.0 111.957 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -62.24 -58.08 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.697 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -58.41 -42.2 86.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.657 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.561 ' O ' ' NH1' ' C' ' 42' ' ' ARG . 76.4 mt-30 -44.58 151.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.619 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ARG . . . . . 0.561 ' NH1' ' O ' ' C' ' 41' ' ' GLN . 6.4 tpp180 -149.84 106.65 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.483 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -94.58 120.62 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.705 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 25.6 mt -125.52 127.79 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.482 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -138.66 148.23 43.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.6 37.57 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.439 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.47 44.94 95.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -157.06 131.16 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 0.0 110.57 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -72.69 135.18 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.76 132.83 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.586 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -86.04 158.66 19.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' C' ' 52' ' ' ASP . 0.0 OUTLIER -78.9 158.1 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' C' ' 54' ' ' ARG . . . 88.5 -60.96 3.93 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' C' ' 53' ' ' GLY . 17.1 mmt180 -42.61 169.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.611 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.493 ' C ' ' H ' ' C' ' 57' ' ' SER . 29.9 p -117.4 157.97 25.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.72 0.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . 0.493 ' H ' ' C ' ' C' ' 55' ' ' THR . 7.0 t -97.31 -10.74 25.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -86.91 -38.84 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.651 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -83.54 2.18 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 68.66 8.71 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -53.01 113.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.29 -162.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.727 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -86.02 158.21 19.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.672 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 55.7 32.75 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -83.85 141.91 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.522 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -89.86 107.62 19.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -94.38 114.39 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.77 108.0 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.473 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 42.5 tp -91.87 129.28 37.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.539 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.572 HG12 ' H ' ' C' ' 71' ' ' LEU . 1.9 t -141.01 172.5 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.656 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.572 ' H ' HG12 ' C' ' 70' ' ' VAL . 9.5 mp -100.03 166.97 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.576 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -135.29 157.91 45.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.662 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.422 ' C ' HD23 ' C' ' 73' ' ' LEU . 1.7 tt -171.58 98.65 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.516 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ptt-85 -44.58 157.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.75 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.46 127.51 0.89 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 0 0 . 1 stop_ save_