data_1z23_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 1z23 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.71 -41.28 81.43 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.251 -0.906 . . . . 1.0 109.561 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.14 -41.02 97.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.118 -0.989 . . . . 1.0 109.799 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.518 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.5 t -69.87 -47.0 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.647 -1.242 . . . . 1.0 107.647 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.47 82.25 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.523 -0.918 . . . . 1.0 108.523 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.0 t -70.3 -39.27 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.391 -0.818 . . . . 1.0 108.962 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.88 -51.93 23.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.38 -0.825 . . . . 1.0 110.164 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.3 OUTLIER -62.95 -45.97 89.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.899 -1.125 . . . . 1.0 109.944 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.89 -38.27 85.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.92 -1.113 . . . . 1.0 109.79 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.79 -35.23 70.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.0 109.732 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -65.01 -39.48 93.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 1.0 108.897 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 616' ' ' LEU . 10.6 mp -61.81 -42.82 99.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.569 -0.707 . . . . 1.0 109.919 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.88 -34.54 76.22 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 1.0 109.717 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.442 ' O ' ' OG1' ' A' ' 570' ' ' THR . 98.8 mm-40 -77.85 -48.55 16.2 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -61.54 -33.15 83.83 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 52.3 t -74.86 -48.75 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.135 -1.215 . . . . 1.0 108.603 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 24.3 t -64.67 -31.68 73.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.278 -0.889 . . . . 1.0 108.757 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 59.8 m -76.04 -40.54 53.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.627 -0.67 . . . . 1.0 109.606 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 30.7 p -69.18 -45.41 70.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 1.0 109.472 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.406 ' N ' ' HG1' ' A' ' 571' ' ' THR . 26.6 m -60.58 -34.76 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 1.0 109.091 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.61 77.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 570' ' ' THR . 3.2 m-70 -60.45 -43.61 96.7 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.601 -0.687 . . . . 1.0 109.673 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -54.61 -45.4 73.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 1.0 109.836 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -36.48 71.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 1.0 109.38 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -63.63 -37.97 89.34 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.22 -0.925 . . . . 1.0 109.263 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.45 -35.83 68.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0 109.525 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 56.4 t . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 1.0 109.522 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.165 0.507 . . . . 1.0 109.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.71 -41.95 78.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.175 -0.953 . . . . 1.0 109.45 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.304 -0.872 . . . . 1.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.84 -43.49 65.45 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.382 -0.824 . . . . 1.0 109.084 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.88 -34.5 76.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.372 -0.83 . . . . 1.0 109.92 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.08 -40.33 68.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.894 . . . . 1.0 110.54 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.53 -46.62 59.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.029 -1.044 . . . . 1.0 110.252 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.14 -40.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.976 -1.078 . . . . 1.0 109.38 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.47 75.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0 109.506 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.3 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 1.0 109.73 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.5 OUTLIER -62.39 -42.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.112 -0.993 . . . . 1.0 109.158 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.688 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 29.2 m-70 -63.06 -37.92 89.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 1.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.41 -41.18 96.91 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.61 77.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.909 -1.348 . . . . 1.0 109.746 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.481 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 78.7 t -65.79 -47.12 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 1.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.19 -38.23 62.65 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.401 -0.963 . . . . 1.0 108.401 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.11 -32.32 72.0 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.227 -1.027 . . . . 1.0 108.227 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 564' ' ' LEU . 2.4 tt -71.06 -42.42 69.45 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.603 -1.258 . . . . 1.0 107.603 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -40.88 94.5 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.765 -1.198 . . . . 1.0 107.765 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.12 -45.15 61.68 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.354 -0.841 . . . . 1.0 109.7 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -61.75 -47.81 83.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 1.0 109.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.58 91.73 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.412 -0.958 . . . . 1.0 108.412 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -47.42 83.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.747 -0.596 . . . . 1.0 109.809 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 49.4 m -58.83 -42.04 88.31 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 1.0 109.317 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.95 78.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 1.0 109.644 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 62.3 t -60.58 -38.1 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 1.0 109.481 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 1.0 109.465 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' ' 635' ' ' LEU . 72.6 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.488 ' N ' ' HG1' ' A' ' 634' ' ' THR . 72.1 mt -58.13 -47.3 83.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 1.0 109.515 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . 0.417 ' O ' ' OG ' ' A' ' 640' ' ' SER . 70.3 t60 -61.04 -44.16 97.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.044 -1.035 . . . . 1.0 108.482 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.53 73.32 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -63.95 -44.9 91.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.0 109.805 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 23.3 tp -69.36 -47.33 64.65 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.896 . . . . 1.0 109.676 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 636' ' ' HIS . 19.4 m -60.88 -42.12 97.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 1.0 109.694 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -60.15 -46.68 88.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.254 -0.904 . . . . 1.0 109.677 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.494 ' NE2' ' HZ3' ' A' ' 645' ' ' LYS . 22.4 tp60 -75.12 -36.82 61.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 1.0 109.966 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.32 -48.88 54.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.292 -0.88 . . . . 1.0 109.879 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 645' ' ' LYS . 1.4 pt20 -63.74 -35.23 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.043 . . . . 1.0 108.842 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.494 ' HZ3' ' NE2' ' A' ' 642' ' ' GLN . 32.0 ttpt -63.69 -37.11 86.13 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.713 -1.218 . . . . 1.0 107.713 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 27.0 tpp -67.96 -38.57 82.93 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.99 -51.51 68.94 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.986 -0.746 . . . . 1.0 108.986 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.23 -40.68 96.55 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.542 -0.724 . . . . 1.0 109.431 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . 0.487 ' O ' ' OG1' ' A' ' 652' ' ' THR . 77.4 t -70.55 -35.21 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.326 -0.859 . . . . 1.0 109.81 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.688 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 14.5 t80 -68.86 -39.73 79.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.0 109.909 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.87 -29.76 65.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.89 -1.132 . . . . 1.0 109.464 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 649' ' ' VAL . 37.0 p -66.2 -37.1 84.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 1.0 110.508 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 657' ' ' GLY . 9.4 mt -73.46 -33.79 65.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.77 -1.206 . . . . 1.0 109.87 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.59 -43.13 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 1.0 109.067 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.7 t -68.67 -43.86 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.046 -1.034 . . . . 1.0 108.523 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -65.43 -37.93 88.38 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.485 -1.302 . . . . 1.0 107.485 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.48 -44.12 42.51 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -57.0 -31.36 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.036 -1.273 . . . . 1.0 108.685 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 80.0 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.35 -0.844 . . . . 1.0 108.936 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 660' ' ' LEU . 0.3 OUTLIER -65.19 -28.94 69.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.291 -0.88 . . . . 1.0 109.241 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 660' ' ' LEU . 55.7 t0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.416 -0.803 . . . . 1.0 109.556 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.75 -26.03 63.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 1.0 108.631 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.68 -48.52 81.34 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 1.0 109.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' A' ' 676' ' ' ARG . 75.9 m-20 -55.81 -35.42 66.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.38 -0.825 . . . . 1.0 110.069 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.7 -34.73 77.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 1.0 109.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.08 -36.47 79.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.525 -1.287 . . . . 1.0 107.525 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' A' ' 673' ' ' ASP . 87.7 mtm-85 -75.05 -36.69 61.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.697 -0.627 . . . . 1.0 109.497 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.76 -46.75 71.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.966 -1.084 . . . . 1.0 108.705 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.49 -31.06 42.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.77 -46.88 51.03 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.54 -0.725 . . . . 1.0 109.501 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 59.2 m -67.35 -37.94 84.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.121 -0.987 . . . . 1.0 109.41 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.618 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -57.01 -34.73 68.46 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 1.0 110.416 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -73.04 -25.8 61.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.87 -1.144 . . . . 1.0 110.551 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.69 -42.47 67.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.98 -1.075 . . . . 1.0 111.657 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -60.28 -51.73 78.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 1.0 112.192 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.618 ' CD ' ' O ' ' A' ' 681' ' ' SER . 36.7 Cg_endo -65.82 -37.43 27.55 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.011 1.807 . . . . 1.0 112.955 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.36 -38.19 79.79 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.882 -1.136 . . . . 1.0 108.01 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -72.14 -30.05 64.64 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.4 94.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.21 -0.932 . . . . 1.0 108.693 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.19 -43.34 87.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.444 -0.785 . . . . 1.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.23 -42.0 89.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.943 -1.098 . . . . 1.0 110.0 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mt -60.39 -35.16 75.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.966 -1.084 . . . . 1.0 108.673 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.5 -36.14 75.47 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.5 m -65.92 -41.5 91.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -0.893 . . . . 1.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.484 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.2 m-85 -64.94 -36.24 83.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 1.0 108.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 699' ' ' ALA . 95.0 mt -61.5 -37.66 84.46 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 40.8 m80 -66.79 -47.56 71.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.461 -0.775 . . . . 1.0 110.128 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -55.44 -27.2 47.09 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.843 -1.303 . . . . 1.0 109.843 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.63 4.79 10.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -1.21 . . . . 1.0 109.689 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.61 -40.03 59.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 1.0 109.661 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' SER . . . . . 0.452 ' HG ' ' N ' ' A' ' 701' ' ' LEU . 78.8 p -52.16 -35.63 49.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.224 -0.922 . . . . 1.0 109.605 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . 0.452 ' N ' ' HG ' ' A' ' 700' ' ' SER . 72.6 mt -87.68 -37.92 16.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 1.0 110.342 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.45 -33.97 66.4 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.614 -1.304 . . . . 1.0 107.993 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -121.07 -80.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.411 -0.806 . . . . 1.0 109.638 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 120.971 -1.081 . . . . 1.0 109.667 -179.762 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.796 0.807 . . . . 1.0 109.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.33 -41.24 75.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.0 tt0 -57.81 -44.66 86.52 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.502 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.2 -45.29 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.14 81.31 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.165 -0.68 . . . . 1.0 109.165 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -44.23 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.053 -1.029 . . . . 1.0 109.151 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 65.2 mm-40 -71.61 -48.79 45.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.167 -0.958 . . . . 1.0 109.277 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.6 m -59.69 -45.58 91.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.776 -1.202 . . . . 1.0 109.822 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.38 -46.71 89.0 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.159 -0.963 . . . . 1.0 109.747 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.16 85.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.396 -0.815 . . . . 1.0 109.939 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 566' ' ' GLN . 0.0 OUTLIER -61.08 -38.0 84.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.017 -1.052 . . . . 1.0 109.345 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 4.4 mp -75.31 -41.06 57.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.862 . . . . 1.0 109.395 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.27 -30.0 71.22 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.392 -0.817 . . . . 1.0 110.393 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 563' ' ' ARG . 96.2 mt-30 -77.42 -45.32 26.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 1.0 108.795 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.83 -32.13 82.73 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.24 -49.91 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.109 -1.23 . . . . 1.0 109.013 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 87.0 p -66.99 -37.78 84.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.226 -0.921 . . . . 1.0 108.85 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 48.9 m -62.91 -42.88 99.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 1.0 109.789 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 66.9 p -67.86 -33.47 74.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.167 -0.958 . . . . 1.0 109.404 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.51 -40.27 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.163 -0.961 . . . . 1.0 108.926 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.75 80.29 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.362 -0.977 . . . . 1.0 108.362 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -55.58 -51.62 66.49 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.333 -0.854 . . . . 1.0 109.053 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -47.72 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 1.0 109.467 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.39 -31.45 72.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 1.0 108.991 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.95 -40.73 65.12 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.448 -0.782 . . . . 1.0 109.134 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.18 -44.45 83.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 1.0 109.551 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 1.0 109.531 -179.713 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.207 0.527 . . . . 1.0 109.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.08 -41.28 78.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 1.0 109.282 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.64 -33.6 74.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.297 -0.877 . . . . 1.0 109.364 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.02 -42.85 99.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 1.0 109.005 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -60.13 -35.48 75.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.864 . . . . 1.0 109.64 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.5 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 110.103 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.62 -47.24 55.93 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.206 -0.933 . . . . 1.0 110.421 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.5 m -71.32 -36.25 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.905 -1.122 . . . . 1.0 109.423 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -61.8 -36.21 80.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.92 42.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 1.0 110.193 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -62.73 -42.79 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.971 -1.08 . . . . 1.0 109.479 -178.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.499 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 1.4 m-70 -67.05 -38.87 86.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 1.0 109.549 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.91 95.37 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.077 -1.609 . . . . 1.0 109.077 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.54 79.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -1.105 . . . . 1.0 109.321 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.426 ' CG1' ' CZ ' ' A' ' 650' ' ' TYR . 90.8 t -66.92 -44.2 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.234 -0.916 . . . . 1.0 108.867 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.404 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 18.6 t-80 -54.48 -34.1 60.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.862 . . . . 1.0 108.904 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.16 -33.45 75.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.182 -0.949 . . . . 1.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.43 -37.69 85.75 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.855 -0.795 . . . . 1.0 108.855 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.4 mp -75.13 -39.44 60.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.748 -0.595 . . . . 1.0 111.135 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.404 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 42.1 mt-10 -73.17 -45.99 53.35 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.683 -1.261 . . . . 1.0 111.481 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.722 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.2 OUTLIER -71.26 -40.56 70.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.689 -1.257 . . . . 1.0 109.054 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . 0.722 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.78 -40.29 91.82 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.423 ' CD ' ' C ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -60.48 -37.3 80.59 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.794 -0.817 . . . . 1.0 108.794 178.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 22.1 t -59.48 -36.25 75.66 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.797 -0.816 . . . . 1.0 108.797 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.9 -43.01 72.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.436 -0.79 . . . . 1.0 109.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.39 -40.81 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.0 109.797 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 1.0 108.783 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' THR . . . . . 0.437 ' HG1' ' N ' ' A' ' 635' ' ' LEU . 68.0 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.635 ' CD2' ' H ' ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.42 -46.85 85.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.0 109.378 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . 0.533 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 44.2 t-80 -62.62 -41.32 98.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 1.0 108.187 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.0 75.42 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.22 -47.05 81.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 1.0 109.682 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.51 ' CD1' HD21 ' A' ' 698' ' ' ASN . 8.8 mp -65.96 -47.34 74.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 1.0 109.43 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' SER . . . . . 0.533 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 40.8 m -61.87 -39.42 91.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.313 -0.867 . . . . 1.0 110.22 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -60.74 -46.2 91.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.365 -0.835 . . . . 1.0 110.177 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -73.23 -47.52 42.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.9 -46.5 78.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 1.0 109.971 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.0 -32.14 73.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 1.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -67.27 -41.8 84.92 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.859 -1.163 . . . . 1.0 107.859 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 10.7 mtp -64.87 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.216 -1.031 . . . . 1.0 108.216 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.85 -51.16 70.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.609 0.719 . . . . 1.0 109.214 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -61.21 -40.34 93.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.613 -0.679 . . . . 1.0 109.428 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.09 -37.16 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.24 -0.913 . . . . 1.0 109.637 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.6 m-30 -57.73 -41.17 81.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.062 -1.023 . . . . 1.0 109.375 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.87 -36.82 64.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.174 -0.954 . . . . 1.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 45.8 m -59.77 -46.43 89.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 1.0 109.289 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.38 -35.83 76.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 1.0 109.665 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.16 -44.11 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 1.0 109.477 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.13 -43.16 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.087 -1.008 . . . . 1.0 108.492 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 656' ' ' HIS . 0.0 OUTLIER -65.12 -41.22 95.07 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.57 66.14 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.77 -28.56 68.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.122 -1.222 . . . . 1.0 109.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.5 -40.27 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 1.0 109.878 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 660' ' ' LEU . 0.9 OUTLIER -57.26 -23.02 45.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.166 -0.958 . . . . 1.0 109.362 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 1.0 109.572 -179.731 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.7 mt -53.78 -23.71 12.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.0 109.216 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -64.99 -47.22 78.32 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.292 -0.88 . . . . 1.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.63 -36.84 67.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.279 -0.888 . . . . 1.0 109.55 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -62.37 -36.89 83.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.36 -0.837 . . . . 1.0 109.433 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.07 -37.0 78.6 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -74.34 -37.81 63.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.46 -48.51 67.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.149 -0.97 . . . . 1.0 108.472 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.93 -29.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.004 -1.109 . . . . 1.0 108.004 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.71 95.6 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.43 83.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 1.0 109.628 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.638 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 25.3 t -58.59 -34.81 71.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.255 -0.903 . . . . 1.0 111.401 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -77.61 -32.78 53.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.568 -1.333 . . . . 1.0 110.051 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.6 65.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.132 -0.98 . . . . 1.0 111.482 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -56.5 -52.99 69.03 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 1.0 112.368 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.638 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.5 Cg_endo -63.19 -41.17 28.97 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.986 1.791 . . . . 1.0 113.153 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.51 -41.53 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.816 -1.178 . . . . 1.0 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.43 -29.8 62.81 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.532 -0.73 . . . . 1.0 109.312 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.03 94.94 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.12 -0.988 . . . . 1.0 108.721 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.38 -41.18 89.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.534 -0.729 . . . . 1.0 109.478 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.26 -43.31 78.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 1.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.19 -36.94 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.8 -32.74 69.63 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.743 -0.836 . . . . 1.0 108.743 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.6 m -68.59 -38.54 80.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.0 109.387 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -0.949 . . . . 1.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 699' ' ' ALA . 4.0 mm? -64.84 -36.98 86.1 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.081 -1.081 . . . . 1.0 108.081 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -70.83 -43.88 67.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 1.0 109.895 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.53 -29.34 47.6 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.809 -1.316 . . . . 1.0 109.809 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.51 HD21 ' CD1' ' A' ' 639' ' ' LEU . 78.8 m-20 -122.73 9.03 9.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -1.197 . . . . 1.0 109.629 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.57 -31.32 62.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.185 -0.947 . . . . 1.0 109.434 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 704' ' ' ARG . 20.0 m -53.61 -38.03 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.968 . . . . 1.0 109.909 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.0 mt -87.58 -33.96 18.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.984 . . . . 1.0 110.369 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.27 -35.61 74.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.924 -1.11 . . . . 1.0 108.107 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -118.56 -74.57 0.6 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 1.0 109.167 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 700' ' ' SER . 53.1 ttt85 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.283 -0.885 . . . . 1.0 109.875 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.157 -0.682 . . . . 1.0 109.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.81 -36.75 72.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.88 -40.27 94.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.936 -1.103 . . . . 1.0 109.719 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 84.3 t -72.2 -41.07 66.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.945 -1.132 . . . . 1.0 107.945 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.63 98.52 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.904 -0.776 . . . . 1.0 108.904 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -34.46 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.037 -1.039 . . . . 1.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.11 -50.54 19.05 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 1.0 109.531 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 87.9 m -60.18 -40.63 90.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.807 -1.183 . . . . 1.0 110.021 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.54 ' O ' ' NE2' ' A' ' 565' ' ' GLN . 6.5 tt -58.89 -46.85 86.85 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.22 -0.925 . . . . 1.0 110.275 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.34 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 1.0 110.413 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -64.24 -38.97 92.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.918 -1.114 . . . . 1.0 108.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.99 -36.54 64.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.323 -0.861 . . . . 1.0 109.735 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . 0.698 ' N ' HE21 ' A' ' 565' ' ' GLN . 0.0 OUTLIER -62.94 -34.57 77.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.936 . . . . 1.0 110.644 -179.15 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.408 ' O ' ' OG1' ' A' ' 570' ' ' THR . 94.8 mt-30 -78.77 -41.4 30.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.828 -1.17 . . . . 1.0 108.793 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.35 84.15 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.425 -1.87 . . . . 1.0 108.425 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.59 -49.42 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.41 -1.053 . . . . 1.0 108.784 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 m -68.59 -37.02 79.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -0.886 . . . . 1.0 108.792 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 98.1 m -62.26 -42.72 99.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 1.0 109.824 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 66.8 p -67.87 -33.66 75.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 1.0 110.055 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.39 -39.41 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.12 -0.988 . . . . 1.0 109.158 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.61 82.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.372 -0.83 . . . . 1.0 109.395 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -62.28 -47.78 82.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 1.0 109.521 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.35 -45.36 76.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 1.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -41.5 69.29 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.182 -0.949 . . . . 1.0 108.59 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.54 -41.04 96.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.5 -0.75 . . . . 1.0 109.404 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.99 -43.71 64.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.0 109.468 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 1.0 109.557 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.096 0.474 . . . . 1.0 109.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -57.98 -40.36 80.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 1.0 109.116 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.28 -43.67 97.23 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 121.359 -0.838 . . . . 1.0 108.949 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.94 -42.95 72.57 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.432 -0.793 . . . . 1.0 109.137 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -59.78 -33.88 72.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.438 -0.789 . . . . 1.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 1.0 110.15 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.35 65.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.179 -0.951 . . . . 1.0 110.254 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.3 m -69.53 -34.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.007 -1.058 . . . . 1.0 109.661 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -64.21 -31.6 72.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -0.932 . . . . 1.0 109.56 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.62 -53.86 16.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 1.0 110.366 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 3.9 p -62.24 -42.06 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 1.0 109.658 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.63 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -63.73 -41.83 97.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.111 -0.993 . . . . 1.0 109.267 179.046 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -58.59 -41.07 95.4 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.699 -1.76 . . . . 1.0 108.699 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.19 73.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -1.09 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.522 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 25.6 t -68.05 -44.51 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.581 -1.325 . . . . 1.0 108.476 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.42 -38.33 71.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -0.826 . . . . 1.0 109.529 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 618' ' ' GLU . 77.6 mm-40 -59.22 -36.72 75.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.899 -1.126 . . . . 1.0 107.965 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . 0.592 ' CD1' HE22 ' A' ' 565' ' ' GLN . 5.7 tp -68.06 -37.27 81.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.791 -0.568 . . . . 1.0 109.669 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.1 -41.08 51.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 1.0 111.352 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 619' ' ' PHE . 16.2 pt-20 -72.77 -44.89 61.02 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.779 -1.2 . . . . 1.0 111.195 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.1 OUTLIER -71.32 -42.06 69.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.697 -1.252 . . . . 1.0 108.91 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . 0.76 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -62.48 -38.98 91.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.518 -1.29 . . . . 1.0 107.518 178.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.15 75.85 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 13.0 t -58.88 -37.58 76.89 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.889 -0.782 . . . . 1.0 108.889 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.83 82.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.332 -0.855 . . . . 1.0 109.607 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.96 -41.74 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -0.832 . . . . 1.0 109.922 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 1.0 109.005 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 82.1 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.499 ' CD2' ' H ' ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.59 -47.23 84.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 1.0 109.217 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -59.63 -47.58 85.04 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.8 65.81 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.435 -0.95 . . . . 1.0 108.435 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -60.66 -38.66 85.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.41 -0.806 . . . . 1.0 109.681 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 635' ' ' LEU . 53.8 tp -73.94 -45.93 47.29 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.23 -0.919 . . . . 1.0 109.201 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 21.6 m -61.53 -45.73 92.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.892 . . . . 1.0 110.468 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -60.83 -45.72 93.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.881 -1.137 . . . . 1.0 110.17 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -71.68 -44.16 64.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.927 -1.108 . . . . 1.0 109.813 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.14 -41.71 73.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.16 -0.962 . . . . 1.0 110.025 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.8 -37.0 86.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.06 -1.025 . . . . 1.0 108.572 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -63.44 -37.91 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 646' ' ' MET . 13.4 tpp -67.24 -37.54 83.7 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.941 0.877 . . . . 1.0 108.723 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.64 -51.27 65.92 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.62 0.724 . . . . 1.0 109.637 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.29 -42.84 74.94 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.482 -0.761 . . . . 1.0 109.779 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.69 -44.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.0 109.307 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.63 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 22.5 t80 -62.88 -33.59 75.62 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.391 -0.818 . . . . 1.0 109.864 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.45 -32.25 72.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 1.0 109.812 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 62.4 m -65.89 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 1.0 109.204 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.4 ' CB ' ' HE2' ' A' ' 610' ' ' HIS . 23.2 mt -65.99 -36.21 82.68 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 1.0 109.138 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.78 -44.58 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.36 -0.838 . . . . 1.0 109.655 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.58 -46.28 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.901 -1.125 . . . . 1.0 108.283 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -60.94 -37.46 82.41 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.35 -41.6 37.14 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.25 -29.0 57.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.101 -1.235 . . . . 1.0 109.343 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -39.81 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 1.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.3 89.36 6.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.024 -1.048 . . . . 1.0 109.394 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 1.0 109.552 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.238 0.542 . . . . 1.0 109.747 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.9 -24.41 51.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.0 109.4 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.0 -48.24 82.51 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.37 -0.831 . . . . 1.0 109.557 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.03 -33.73 67.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.0 109.747 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.75 -37.98 83.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 1.0 109.475 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.54 -36.23 79.99 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.316 -1.364 . . . . 1.0 107.316 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.497 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 53.1 mtm180 -73.7 -38.59 64.8 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.122 -0.696 . . . . 1.0 109.122 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.8 -48.05 60.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 1.0 108.873 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.05 -31.01 40.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.068 -1.086 . . . . 1.0 108.068 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.19 57.38 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.594 -0.691 . . . . 1.0 109.199 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 15.5 m -63.5 -36.19 82.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 1.0 109.206 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.581 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.8 t -58.67 -33.89 70.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.268 -0.895 . . . . 1.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -71.68 -25.95 62.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.731 -1.23 . . . . 1.0 109.537 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.42 -43.08 70.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 1.0 111.171 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -51.74 79.53 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.864 -1.147 . . . . 1.0 112.012 -177.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.581 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.6 Cg_exo -61.02 -43.8 28.06 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.901 1.734 . . . . 1.0 112.949 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.68 -40.62 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.733 -1.229 . . . . 1.0 108.073 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.42 -36.07 78.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.719 . . . . 1.0 109.455 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.08 98.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.008 . . . . 1.0 108.771 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.53 -48.91 68.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.389 -0.82 . . . . 1.0 108.931 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.78 -43.42 98.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.435 -0.791 . . . . 1.0 109.171 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.14 -34.74 70.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.048 -1.093 . . . . 1.0 108.048 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.56 73.76 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.388 -0.82 . . . . 1.0 108.934 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.9 t -63.91 -41.51 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 1.0 109.945 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -61.2 -39.97 92.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -0.996 . . . . 1.0 108.523 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.1 mp -62.52 -40.32 96.39 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.75 -51.41 68.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.62 -0.675 . . . . 1.0 110.419 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . 0.54 ' C ' HD21 ' A' ' 698' ' ' ASN . . . -60.73 -23.86 61.52 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.76 -1.209 . . . . 1.0 110.12 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.54 HD21 ' C ' ' A' ' 697' ' ' GLY . 1.7 m120 -114.67 9.29 16.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.328 . . . . 1.0 109.73 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.5 -28.11 66.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 1.0 109.56 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 29.7 m -66.9 -45.41 78.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 1.0 109.723 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.2 -20.68 15.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.0 110.26 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 698' ' ' ASN . 55.0 tp -63.2 -28.63 70.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.8 -1.187 . . . . 1.0 108.403 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -122.11 -99.07 0.43 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.465 -0.772 . . . . 1.0 109.198 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.389 -0.819 . . . . 1.0 109.088 -179.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 555' ' ' GLU . 2.0 pp -58.21 -34.26 70.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.375 -0.828 . . . . 1.0 108.998 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . 0.425 ' N ' ' HG ' ' A' ' 554' ' ' LEU . 79.0 mm-40 -66.81 -37.66 84.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.226 -0.921 . . . . 1.0 110.051 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.638 ' O ' ' OG1' ' A' ' 560' ' ' THR . 74.3 t -72.17 -47.88 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.771 -1.206 . . . . 1.0 107.901 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -57.31 -39.9 76.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.629 -0.67 . . . . 1.0 109.225 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.5 -35.74 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 1.0 109.723 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.1 -46.4 43.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.038 . . . . 1.0 109.808 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -62.3 -48.14 81.2 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.63 -0.669 . . . . 1.0 109.784 -179.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.16 -39.66 82.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.202 -0.936 . . . . 1.0 109.614 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.4 98.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.399 -0.813 . . . . 1.0 110.087 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -62.73 -33.38 75.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.088 -1.008 . . . . 1.0 108.641 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.2 -38.13 84.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.51 -0.743 . . . . 1.0 109.684 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . 0.407 HE22 ' C ' ' A' ' 688' ' ' ALA . 45.8 mm-40 -60.55 -31.85 70.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 1.0 109.207 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.56 -45.72 43.58 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.61 87.45 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.6 -49.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.071 -1.252 . . . . 1.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -41.01 92.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.205 -0.934 . . . . 1.0 109.3 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.2 m -62.35 -40.08 95.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.526 -0.734 . . . . 1.0 110.487 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.652 ' O ' ' ND1' ' A' ' 574' ' ' HIS . 27.2 p -67.74 -32.91 73.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.002 -1.061 . . . . 1.0 109.77 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.66 -35.09 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 1.0 109.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.31 99.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.997 . . . . 1.0 108.656 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . 0.652 ' ND1' ' O ' ' A' ' 571' ' ' THR . 1.0 OUTLIER -67.66 -42.0 82.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.704 -0.623 . . . . 1.0 109.582 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.65 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 6.0 tp -58.29 -45.07 88.63 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.383 -0.823 . . . . 1.0 109.644 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -33.44 70.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 1.0 109.322 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -72.18 -43.07 65.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 1.0 109.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -66.93 -43.38 83.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 1.0 109.607 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 1.0 109.533 -179.742 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.03 -46.11 90.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.181 -0.949 . . . . 1.0 109.347 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.09 -32.76 73.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.294 -0.879 . . . . 1.0 109.335 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.62 -40.6 97.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 1.0 109.021 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -59.41 -39.25 82.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.338 -0.851 . . . . 1.0 109.579 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.04 71.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 1.0 109.594 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.39 -46.96 71.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.412 -0.805 . . . . 1.0 110.293 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.41 -37.11 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.909 -1.119 . . . . 1.0 109.532 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.88 -32.34 73.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.98 . . . . 1.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.83 40.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.0 109.563 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -63.07 -42.55 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 1.0 109.116 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 57.7 t60 -63.42 -38.36 90.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.028 -1.045 . . . . 1.0 109.821 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -69.45 -45.61 59.4 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.434 -0.889 . . . . 1.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.12 70.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.758 -1.437 . . . . 1.0 110.27 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 2.1 p -69.63 -43.23 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.123 . . . . 1.0 108.35 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.527 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 49.8 t-80 -53.92 -32.47 53.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 1.0 108.79 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -64.83 -30.5 71.5 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.926 -1.139 . . . . 1.0 107.926 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.03 -43.85 73.9 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.403 ' CD1' ' CE2' ' A' ' 650' ' ' TYR . 1.0 OUTLIER -62.3 -40.27 95.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.142 -1.058 . . . . 1.0 108.142 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 621' ' ' ARG . 75.4 mm-40 -72.85 -46.27 53.81 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.184 -0.947 . . . . 1.0 109.401 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.38 -47.27 84.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.03 -1.044 . . . . 1.0 109.129 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.36 88.6 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.167 -0.958 . . . . 1.0 108.642 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 618' ' ' GLU . 0.0 OUTLIER -68.78 -37.43 79.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.691 -0.63 . . . . 1.0 109.767 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.4 m -57.22 -44.5 83.79 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.099 -1.0 . . . . 1.0 109.098 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.331 -0.856 . . . . 1.0 109.694 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.17 -37.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 1.0 109.492 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 1.0 109.694 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.425 -0.583 . . . . 1.0 109.425 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 635' ' ' LEU . 4.1 mm? -60.05 -46.8 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0 109.356 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -61.39 -46.11 91.51 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.39 74.04 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.849 -0.796 . . . . 1.0 108.849 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . 0.58 ' NZ ' ' CE2' ' A' ' 694' ' ' PHE . 2.6 mtpp -62.85 -44.92 94.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.409 -0.807 . . . . 1.0 108.992 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.84 -46.9 73.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 1.0 109.756 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -63.37 -42.09 98.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.818 . . . . 1.0 109.906 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 -59.77 -46.54 88.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.0 109.756 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.675 HE22 ' HZ1' ' A' ' 645' ' ' LYS . 26.6 tp60 -68.54 -33.83 74.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.0 109.701 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.01 -45.34 85.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 1.0 109.641 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.18 -35.07 76.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 1.0 108.769 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.675 ' HZ1' HE22 ' A' ' 642' ' ' GLN . 32.0 ttpt -63.91 -36.73 84.91 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.2 -1.037 . . . . 1.0 108.2 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.2 mtp -69.58 -37.57 77.02 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -59.7 -49.74 76.56 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.325 -0.991 . . . . 1.0 108.325 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . 0.437 ' O ' ' OG1' ' A' ' 652' ' ' THR . 11.1 t70 -62.85 -41.21 99.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.799 -0.563 . . . . 1.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.57 -37.29 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.0 109.75 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.2 m-85 -62.94 -46.29 88.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0 109.11 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -70.17 -29.42 66.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 1.0 109.561 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 648' ' ' ASP . 86.9 m -57.54 -41.86 81.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.228 -0.92 . . . . 1.0 109.252 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 657' ' ' GLY . 3.4 mt -67.77 -39.81 84.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.351 -0.843 . . . . 1.0 109.084 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . 0.527 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 99.6 t -60.6 -44.22 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.314 -0.866 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.8 t -67.21 -47.2 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.206 -1.035 . . . . 1.0 108.206 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -60.89 -37.08 80.96 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.887 -1.153 . . . . 1.0 107.887 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.19 -47.87 28.12 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.176 -1.57 . . . . 1.0 109.176 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -59.33 -35.29 73.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -1.196 . . . . 1.0 109.222 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.68 -35.0 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.0 109.181 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.2 tt -55.27 -36.36 66.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.485 -0.759 . . . . 1.0 109.096 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 1.0 109.649 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 24.7 p . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.236 0.541 . . . . 1.0 109.95 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.45 -24.48 20.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 1.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . 0.529 ' H ' ' HG1' ' A' ' 670' ' ' THR . 54.9 t0 -66.31 -46.95 75.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.186 -0.946 . . . . 1.0 109.358 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.2 -37.22 69.35 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.262 -0.899 . . . . 1.0 109.502 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.34 -35.7 79.93 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.294 -0.879 . . . . 1.0 109.651 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -60.04 -36.22 76.82 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.35 -41.47 73.13 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.78 -48.76 52.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 1.0 108.918 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.24 -31.9 43.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.209 -0.932 . . . . 1.0 108.505 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.85 -46.29 58.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.41 -38.39 87.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.168 -0.958 . . . . 1.0 109.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.622 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -56.17 -33.68 65.47 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -76.17 -28.95 57.53 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.786 -1.196 . . . . 1.0 109.54 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.5 70.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.204 -0.935 . . . . 1.0 111.27 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -58.31 -52.49 74.22 Favored Pre-proline 0 N--CA 1.497 1.919 0 O-C-N 120.867 -1.146 . . . . 1.0 112.117 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.622 ' CD ' ' O ' ' A' ' 681' ' ' SER . 21.6 Cg_endo -62.34 -42.29 28.95 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.813 1.675 . . . . 1.0 113.044 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.84 -42.15 81.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.722 -1.237 . . . . 1.0 108.48 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -75.11 -32.95 61.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.445 -0.785 . . . . 1.0 109.213 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -60.66 -38.77 85.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.121 -0.987 . . . . 1.0 108.766 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -67.06 -36.87 82.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.0 108.796 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.65 -44.44 93.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.16 -35.18 73.06 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.436 -0.95 . . . . 1.0 108.436 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.14 73.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.442 -0.786 . . . . 1.0 109.102 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.3 t -69.84 -40.38 75.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 1.0 109.609 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.58 ' CE2' ' NZ ' ' A' ' 638' ' ' LYS . 3.1 m-85 -61.91 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 1.0 108.89 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.0 mp -64.43 -35.38 80.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.297 -0.877 . . . . 1.0 109.01 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -69.29 -44.44 71.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 1.0 110.34 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.22 -25.67 60.41 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.653 -1.379 . . . . 1.0 109.653 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.419 ' OD1' ' CD1' ' A' ' 702' ' ' LEU . 29.0 p30 -120.19 2.71 10.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.318 -1.107 . . . . 1.0 109.646 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.76 -39.73 59.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 1.0 109.903 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 704' ' ' ARG . 67.0 m -52.42 -34.38 48.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.078 -1.014 . . . . 1.0 108.82 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 8.3 mp -87.58 -41.16 13.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.418 -0.801 . . . . 1.0 110.273 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.419 ' CD1' ' OD1' ' A' ' 698' ' ' ASN . 70.6 mt -55.54 -34.65 64.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.847 -1.158 . . . . 1.0 109.131 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 44.5 m-85 -104.89 -97.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 1.0 109.71 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' A' ' 700' ' ' SER . 96.8 mtt180 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.098 -1.001 . . . . 1.0 110.218 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 20.6 tp -55.79 -40.77 73.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.372 -0.83 . . . . 1.0 109.591 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.72 -43.66 88.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.269 -0.894 . . . . 1.0 110.051 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.13 -44.42 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 107.602 -1.259 . . . . 1.0 107.602 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -59.83 -40.68 89.31 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.753 -0.592 . . . . 1.0 109.744 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -38.96 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.788 -1.195 . . . . 1.0 108.714 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -70.61 -50.6 35.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.419 -0.801 . . . . 1.0 109.736 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.1 t -61.22 -42.8 99.24 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.848 -1.157 . . . . 1.0 109.694 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 560' ' ' THR . 6.3 tp -71.26 -37.84 71.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.016 -1.053 . . . . 1.0 109.309 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . 0.428 ' O ' ' OE1' ' A' ' 566' ' ' GLN . . . -65.9 -41.33 91.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.485 -0.759 . . . . 1.0 109.89 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -61.38 -32.05 71.96 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.065 -1.022 . . . . 1.0 108.69 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 616' ' ' LEU . 3.5 mp -70.68 -37.96 73.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.496 -0.753 . . . . 1.0 109.953 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . 0.474 HE22 ' CB ' ' A' ' 688' ' ' ALA . 32.5 mm-40 -61.66 -31.06 71.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.259 -0.901 . . . . 1.0 109.989 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.44 ' N ' ' NE2' ' A' ' 566' ' ' GLN . 1.4 mp0 -79.22 -47.77 15.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.031 -1.043 . . . . 1.0 108.283 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -64.19 -33.56 87.56 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.735 -1.346 . . . . 1.0 109.735 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.48 -48.52 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -1.215 . . . . 1.0 108.94 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.8 m -66.03 -37.37 85.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.343 -0.848 . . . . 1.0 108.921 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 91.4 m -62.74 -42.68 99.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.608 -0.683 . . . . 1.0 110.594 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.621 ' O ' ' ND1' ' A' ' 574' ' ' HIS . 79.8 p -68.81 -35.18 76.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.05 -1.031 . . . . 1.0 110.228 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.37 -35.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.016 -1.052 . . . . 1.0 108.929 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.56 94.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.188 -0.945 . . . . 1.0 108.994 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . 0.649 ' CD2' ' N ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -60.81 -47.39 86.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 1.0 109.393 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 2.2 tt -57.05 -46.97 82.02 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 1.0 109.623 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -31.0 67.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.0 109.369 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -71.77 -36.68 70.44 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.258 -0.901 . . . . 1.0 109.257 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.09 -45.39 63.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 1.0 109.608 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 1.0 109.55 -179.731 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 600' ' ' GLN . 9.6 p . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.177 0.513 . . . . 1.0 109.916 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . 0.509 ' N ' ' CG1' ' A' ' 599' ' ' VAL . 94.0 mt-30 -64.91 -44.94 87.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 1.0 109.252 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.31 -39.49 90.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.355 -0.841 . . . . 1.0 109.312 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -42.2 58.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.822 . . . . 1.0 109.133 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -64.4 -38.0 89.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.448 -0.782 . . . . 1.0 109.403 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.13 72.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.394 -0.816 . . . . 1.0 109.596 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . 0.624 ' CB ' ' HE2' ' A' ' 574' ' ' HIS . . . -68.36 -47.8 66.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 1.0 110.01 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.15 -36.87 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 1.0 109.502 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.37 99.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 1.0 109.444 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.34 89.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 0.4 OUTLIER -60.76 -41.8 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.258 -0.901 . . . . 1.0 109.321 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.565 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 10.8 t-80 -61.93 -31.61 71.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.233 -0.917 . . . . 1.0 109.405 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -65.16 -45.76 90.43 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 121.519 -0.738 . . . . 1.0 111.439 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.91 78.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.734 -1.45 . . . . 1.0 110.43 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -72.64 -40.5 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.007 -1.058 . . . . 1.0 108.287 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.489 ' CE1' ' OE2' ' A' ' 618' ' ' GLU . 11.4 t-160 -54.96 -37.42 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 1.0 108.866 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.64 -30.23 71.25 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 564' ' ' LEU . 5.4 tp -70.64 -43.44 69.19 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.506 -0.924 . . . . 1.0 108.506 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -61.99 -39.42 92.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.809 -1.182 . . . . 1.0 107.809 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 614' ' ' HIS . 96.6 mt-10 -72.49 -45.26 60.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -0.808 . . . . 1.0 109.358 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.81 -46.48 84.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.157 -0.964 . . . . 1.0 108.799 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -67.35 -39.97 85.8 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.373 -0.973 . . . . 1.0 108.373 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 617' ' ' LEU . 0.0 OUTLIER -69.0 -39.64 79.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.658 -0.651 . . . . 1.0 109.76 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 24.1 t -55.86 -44.02 77.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.174 -0.954 . . . . 1.0 109.036 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.33 84.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -0.789 . . . . 1.0 109.533 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.09 -40.1 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.87 . . . . 1.0 109.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 1.0 109.826 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.26 -47.06 86.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 1.0 109.401 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -65.02 -43.54 92.15 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.85 78.06 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.86 84.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.461 -0.774 . . . . 1.0 109.399 178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -46.33 86.83 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 1.0 109.53 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.6 p -59.08 -40.94 86.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 1.0 109.872 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -46.49 90.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.295 -0.878 . . . . 1.0 109.917 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -67.52 -33.35 74.9 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.063 -1.023 . . . . 1.0 110.25 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -44.71 79.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.001 -1.062 . . . . 1.0 109.706 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.66 -31.63 72.54 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 1.0 109.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -63.99 -38.59 91.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.151 -1.055 . . . . 1.0 108.151 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.509 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.1 mtp -69.61 -37.45 76.86 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.481 -0.933 . . . . 1.0 108.481 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -59.63 -50.66 72.99 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.571 0.7 . . . . 1.0 109.381 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.41 -41.83 96.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.614 -0.679 . . . . 1.0 109.713 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.54 -36.86 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 1.0 109.585 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.2 m-30 -57.62 -50.92 71.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 1.0 109.873 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.54 -32.51 74.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 1.0 109.627 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 90.9 m -58.29 -40.83 83.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 1.0 109.186 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.4 -42.48 87.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.277 -0.889 . . . . 1.0 109.327 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . 0.565 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 87.8 t -62.14 -44.11 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.371 -0.831 . . . . 1.0 110.148 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.43 -47.18 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 120.782 -1.199 . . . . 1.0 108.469 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.73 -38.75 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.332 -0.988 . . . . 1.0 108.332 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.13 -45.12 26.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.0 109.545 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -56.07 -37.88 69.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -1.19 . . . . 1.0 109.468 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 79.3 t -65.83 -36.66 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 1.0 109.249 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.84 -35.51 73.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.0 109.273 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.142 -0.974 . . . . 1.0 109.429 -179.697 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.257 0.551 . . . . 1.0 109.558 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.19 -24.85 63.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.878 . . . . 1.0 109.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -63.88 -49.26 73.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.282 -0.886 . . . . 1.0 109.619 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -56.99 -36.79 70.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 1.0 109.821 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.51 -34.76 76.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.163 -0.96 . . . . 1.0 109.308 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -60.72 -35.57 76.66 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.43 -1.322 . . . . 1.0 107.43 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.419 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 81.1 mtp180 -71.03 -43.03 68.73 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.5 -46.97 62.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.089 -1.007 . . . . 1.0 108.857 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.0 t -56.82 -30.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.11 61.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 1.0 109.15 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 11.4 m -64.43 -39.48 93.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.258 -0.901 . . . . 1.0 109.26 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.34 -33.86 68.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.51 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -73.83 -27.17 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.701 -1.249 . . . . 1.0 109.613 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.93 76.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -60.69 -54.29 56.03 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.246 -0.909 . . . . 1.0 112.354 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.566 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_endo -62.49 -42.72 25.58 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 121.771 1.647 . . . . 1.0 112.985 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.18 -42.68 93.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.056 -1.027 . . . . 1.0 108.869 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -73.43 -35.2 65.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.422 -0.799 . . . . 1.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . 0.474 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -61.1 -42.14 97.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.871 -1.143 . . . . 1.0 109.019 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.17 -37.95 88.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.427 -0.796 . . . . 1.0 109.987 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.98 -41.87 97.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.107 -0.996 . . . . 1.0 109.971 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.75 -34.62 76.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.954 -1.091 . . . . 1.0 108.859 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.32 69.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.368 -0.832 . . . . 1.0 109.009 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 16.5 m -68.85 -41.18 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 1.0 109.334 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.3 m-30 -65.22 -33.01 74.98 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.43 -37.46 80.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.15 -1.056 . . . . 1.0 108.15 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 4.7 t60 -66.12 -46.76 76.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.515 -0.74 . . . . 1.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.56 -28.43 45.14 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.045 -1.222 . . . . 1.0 110.045 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.8 OUTLIER -109.24 3.07 21.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.922 -1.34 . . . . 1.0 109.597 -179.455 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -59.91 -23.83 63.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.0 109.509 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 18.9 m -69.63 -50.09 47.6 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.125 -0.984 . . . . 1.0 109.325 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.5 tp -103.48 -8.08 20.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 110.591 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 698' ' ' ASN . 32.8 tp -74.08 -27.31 60.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.777 -1.202 . . . . 1.0 108.657 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' A' ' 704' ' ' ARG . 31.7 m-85 -128.88 -63.54 0.96 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.335 -0.853 . . . . 1.0 109.496 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.539 ' C ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.239 -0.913 . . . . 1.0 109.303 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 . . . . . 0 N--CA 1.496 1.848 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.41 -38.02 73.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.903 . . . . 1.0 109.122 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.39 -42.56 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.495 -0.753 . . . . 1.0 110.015 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.94 -44.81 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.723 -1.235 . . . . 1.0 107.892 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -62.2 -42.24 99.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.04 -0.726 . . . . 1.0 109.04 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.66 -42.44 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.069 -1.02 . . . . 1.0 108.985 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.65 -49.05 57.45 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.298 -0.876 . . . . 1.0 109.149 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 32.3 m -59.71 -46.11 90.07 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.09 -1.006 . . . . 1.0 110.171 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' A' ' 561' ' ' LEU . 2.9 tm? -57.09 -48.77 77.8 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.067 -1.021 . . . . 1.0 110.034 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.3 95.16 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.258 -0.901 . . . . 1.0 109.845 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.4 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 19.6 mtp-105 -68.64 -38.02 80.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.131 -0.981 . . . . 1.0 109.463 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.05 -37.76 72.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.849 . . . . 1.0 109.175 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -62.52 -31.45 72.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 1.0 110.114 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -78.37 -44.15 25.75 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.144 -0.973 . . . . 1.0 108.787 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . 0.409 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -64.5 -32.0 82.76 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.411 -1.475 . . . . 1.0 109.411 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.11 -50.14 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.104 -1.233 . . . . 1.0 108.842 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.7 t -67.62 -38.94 84.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.278 -0.889 . . . . 1.0 108.963 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 93.6 m -62.48 -43.98 97.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.453 -0.78 . . . . 1.0 110.117 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 67.4 p -68.31 -32.85 73.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.0 109.832 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.8 -39.47 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.922 . . . . 1.0 109.471 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.42 81.45 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.052 -1.03 . . . . 1.0 108.303 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -58.85 -49.02 79.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.615 -0.678 . . . . 1.0 109.53 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 60.8 tp -56.77 -45.53 82.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.408 -0.808 . . . . 1.0 109.505 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.55 -41.12 69.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 1.0 109.295 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -57.7 -41.32 81.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.268 -0.895 . . . . 1.0 108.894 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.12 -37.23 85.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.387 -0.821 . . . . 1.0 109.303 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.28 -0.888 . . . . 1.0 109.424 -179.674 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 80.4 t . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.16 0.505 . . . . 1.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -54.45 -48.28 71.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 1.0 109.338 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -58.56 -32.71 69.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 1.0 109.445 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.51 -39.92 51.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.288 -0.882 . . . . 1.0 109.317 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -60.68 -37.66 82.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.459 -0.776 . . . . 1.0 109.68 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.41 76.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 1.0 110.091 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.3 63.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.225 -0.922 . . . . 1.0 110.227 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 4.4 p -70.05 -37.77 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.97 -1.081 . . . . 1.0 109.737 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -63.38 -41.87 98.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 1.0 110.091 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.26 95.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 1.0 110.073 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.2 -45.77 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.99 -1.069 . . . . 1.0 109.146 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -60.79 -37.28 81.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 1.0 109.302 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -68.15 -45.87 68.67 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 110.128 -1.189 . . . . 1.0 110.128 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.22 82.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.063 -1.257 . . . . 1.0 109.69 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.461 ' CG2' ' OH ' ' A' ' 650' ' ' TYR . 45.5 t -67.26 -44.25 87.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.129 -0.982 . . . . 1.0 108.75 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -53.99 -35.96 62.4 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.507 -0.923 . . . . 1.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.72 -35.67 73.04 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.69 -34.55 74.1 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.717 -0.846 . . . . 1.0 108.717 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.2 -46.36 34.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.776 -0.578 . . . . 1.0 111.003 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -72.48 -46.76 53.3 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.74 -1.225 . . . . 1.0 110.95 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.738 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -68.15 -41.24 81.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.78 -1.2 . . . . 1.0 109.027 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . 0.738 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.68 -40.27 95.1 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -58.6 -37.35 75.64 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.368 -0.975 . . . . 1.0 108.368 178.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' SER . . . . . 0.628 ' HG ' ' N ' ' A' ' 623' ' ' ALA . 25.0 p -60.66 -37.67 82.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.541 -0.911 . . . . 1.0 108.541 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . 0.628 ' N ' ' HG ' ' A' ' 622' ' ' SER . . . -61.92 -39.32 91.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.39 -0.819 . . . . 1.0 109.192 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.02 -42.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 1.0 109.078 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.292 -0.88 . . . . 1.0 109.77 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' THR . . . . . 0.707 ' HG1' ' HZ3' ' A' ' 638' ' ' LYS . 68.2 p . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.038 0.446 . . . . 1.0 110.084 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.39 -44.52 80.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.122 -0.986 . . . . 1.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.79 -46.07 91.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.056 -1.028 . . . . 1.0 108.385 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.08 77.62 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . 0.707 ' HZ3' ' HG1' ' A' ' 634' ' ' THR . 0.3 OUTLIER -64.49 -44.17 91.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.6 -0.688 . . . . 1.0 109.828 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 1.0 110.328 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.0 m -64.94 -41.19 95.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.247 -0.908 . . . . 1.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 641' ' ' ARG . 0.2 OUTLIER -61.97 -46.02 91.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.807 -1.183 . . . . 1.0 110.256 -179.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.521 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 89.6 mt-30 -76.59 -38.58 54.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.029 -1.044 . . . . 1.0 110.217 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.35 -48.28 65.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.012 -1.055 . . . . 1.0 110.036 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.21 -34.99 78.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 1.0 109.293 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -61.59 -36.65 81.28 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.591 -1.262 . . . . 1.0 107.591 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.88 -32.45 72.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.375 -0.972 . . . . 1.0 108.375 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -74.42 -44.59 51.21 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.592 0.71 . . . . 1.0 109.224 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -60.87 -43.27 98.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 31.2 m -67.95 -43.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.317 -0.864 . . . . 1.0 109.822 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.461 ' OH ' ' CG2' ' A' ' 613' ' ' VAL . 0.1 OUTLIER -61.16 -35.53 77.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.925 -1.11 . . . . 1.0 109.937 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.54 -33.62 71.35 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.911 -1.118 . . . . 1.0 109.424 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' THR . . . . . 0.519 ' O ' ' CD2' ' A' ' 656' ' ' HIS . 71.6 p -73.16 -35.76 66.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 1.0 109.058 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.55 -34.51 72.32 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.393 -0.817 . . . . 1.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 72.2 t -60.57 -44.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.18 -0.95 . . . . 1.0 109.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.7 -43.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.923 -1.111 . . . . 1.0 108.722 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 652' ' ' THR . 53.2 m-70 -63.59 -40.98 98.35 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.87 -38.71 40.88 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 7.1 mm-40 -55.82 -29.41 59.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.599 -1.53 . . . . 1.0 109.407 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.9 t -63.11 -39.49 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.308 -0.87 . . . . 1.0 109.639 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.25 -36.54 73.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.134 -0.979 . . . . 1.0 109.721 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.229 -0.92 . . . . 1.0 109.655 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 671' ' ' LEU . 12.4 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.377 0.608 . . . . 1.0 110.2 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . 0.41 ' N ' ' HG1' ' A' ' 670' ' ' THR . 88.4 mt -51.98 -24.21 6.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 1.0 109.62 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.99 -46.09 72.3 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.304 -0.872 . . . . 1.0 108.697 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.1 -36.02 72.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.58 -0.7 . . . . 1.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 674' ' ' LEU . 4.2 mm? -64.37 -34.41 78.1 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.328 -0.858 . . . . 1.0 108.975 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.79 -34.65 74.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.906 -1.516 . . . . 1.0 106.906 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -71.59 -43.23 66.63 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.06 -46.69 61.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 1.0 108.561 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.97 -32.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.52 68.05 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.7 m -65.95 -35.65 81.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.284 -0.885 . . . . 1.0 109.189 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.641 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -59.22 -35.52 73.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.848 . . . . 1.0 110.546 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -77.77 -29.24 50.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.773 -1.205 . . . . 1.0 110.221 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.7 -47.34 63.54 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.04 -1.037 . . . . 1.0 111.527 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.554 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -57.54 -51.82 78.9 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 120.932 -1.105 . . . . 1.0 112.43 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.641 ' CD ' ' O ' ' A' ' 681' ' ' SER . 14.8 Cg_endo -59.12 -42.53 50.04 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 121.834 1.689 . . . . 1.0 112.634 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -74.9 -29.5 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.748 . . . . 1.0 109.137 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.01 90.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 1.0 108.765 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -64.67 -42.77 95.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.465 -0.772 . . . . 1.0 109.149 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -67.6 -40.65 84.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.9 . . . . 1.0 108.811 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.23 -36.52 77.9 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.676 -0.861 . . . . 1.0 108.676 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . 0.515 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.19 -37.61 77.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 1.0 109.514 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 27.6 t -64.98 -37.72 88.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.958 . . . . 1.0 109.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.521 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 2.7 m-85 -66.25 -39.06 89.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 1.0 109.23 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -60.82 -37.8 83.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.092 -1.005 . . . . 1.0 108.696 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 50.5 m80 -66.08 -44.08 85.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 1.0 110.501 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -61.89 -24.6 64.86 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.924 -1.27 . . . . 1.0 109.924 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.637 ' N ' ' ND2' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.38 4.77 13.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -1.181 . . . . 1.0 109.702 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -50.75 -39.29 51.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.122 -0.986 . . . . 1.0 109.162 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.0 t -50.79 -38.53 48.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.396 -0.815 . . . . 1.0 110.417 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 28.6 tp -89.57 -41.95 11.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.953 -1.092 . . . . 1.0 111.105 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 59.5 mt -52.84 -34.08 52.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.669 -1.27 . . . . 1.0 108.253 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 4.7 m-85 -123.57 -72.8 0.66 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.503 -0.748 . . . . 1.0 109.272 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 29.0 ttt-85 . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.05 . . . . 1.0 109.789 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 553' ' ' GLU . 49.2 mp0 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.58 -36.59 71.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.267 -0.896 . . . . 1.0 110.178 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.11 -39.55 92.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.986 -1.072 . . . . 1.0 110.395 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.48 -43.9 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 1.0 107.72 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.99 97.89 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.321 -0.992 . . . . 1.0 108.321 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.4 -42.1 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.46 -0.775 . . . . 1.0 109.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.4 -49.22 44.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 1.0 109.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 23.9 m -60.9 -43.47 98.46 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.123 -0.986 . . . . 1.0 109.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 561' ' ' LEU . 2.6 tm? -56.01 -48.91 75.04 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.055 -1.028 . . . . 1.0 108.591 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.98 91.67 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.534 -0.729 . . . . 1.0 109.074 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -62.56 -37.65 86.99 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.36 -0.838 . . . . 1.0 108.926 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.477 ' CD2' ' CD1' ' A' ' 619' ' ' PHE . 3.3 mp -68.51 -38.2 80.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.503 -0.748 . . . . 1.0 109.664 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -64.07 -28.4 69.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 1.0 110.026 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.49 -47.67 16.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.125 -0.984 . . . . 1.0 108.727 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.06 88.93 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.426 -1.47 . . . . 1.0 109.426 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 77.2 t -72.19 -49.73 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -1.19 . . . . 1.0 108.674 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 26.5 t -66.17 -40.48 90.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0 109.084 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 65.9 m -63.24 -42.51 99.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.495 -0.753 . . . . 1.0 110.28 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 41.1 p -68.2 -37.7 81.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.15 -0.969 . . . . 1.0 109.663 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 42.7 t -70.21 -40.76 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.862 . . . . 1.0 109.144 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.94 84.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 1.0 109.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -58.9 -51.76 68.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 1.0 109.71 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.48 -45.7 84.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 1.0 109.657 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.65 -29.61 70.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0 109.487 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.2 -35.43 71.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.171 -0.956 . . . . 1.0 109.306 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.73 -35.24 79.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 1.0 109.744 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.094 -1.004 . . . . 1.0 109.645 -179.75 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.212 0.53 . . . . 1.0 109.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -57.29 -43.44 83.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.275 -0.89 . . . . 1.0 108.991 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -60.32 -42.85 96.46 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.422 -0.799 . . . . 1.0 109.264 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 -41.71 43.32 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.382 -0.824 . . . . 1.0 109.421 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -59.86 -39.73 86.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -0.864 . . . . 1.0 109.701 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.15 69.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.223 -0.923 . . . . 1.0 109.769 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.33 70.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 1.0 110.08 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.5 -36.06 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.972 -1.08 . . . . 1.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.88 77.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.962 . . . . 1.0 109.957 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.6 -50.71 41.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.0 110.103 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 1.2 p -60.2 -41.13 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 1.0 109.382 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.624 ' HE2' ' CB ' ' A' ' 653' ' ' LEU . 9.0 m80 -61.23 -38.08 85.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 1.0 109.39 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -72.42 -43.65 44.74 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.591 -1.404 . . . . 1.0 109.591 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.42 73.44 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.074 -1.251 . . . . 1.0 109.307 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 1.6 p -67.01 -45.38 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 1.0 109.001 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.579 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 51.5 t-80 -53.79 -30.76 46.23 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 1.0 108.693 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -27.05 64.45 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.9 tt -70.56 -33.01 70.64 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.597 -1.26 . . . . 1.0 107.597 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.08 -37.82 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -72.16 -50.63 26.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.156 -0.965 . . . . 1.0 109.796 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.732 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -65.45 -39.69 92.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 1.0 109.297 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . 0.732 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.47 -39.42 91.96 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.572 -1.27 . . . . 1.0 107.572 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -35.87 78.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.3 t -59.42 -38.82 81.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 108.998 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 1.0 110.112 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.74 -39.27 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.354 -0.841 . . . . 1.0 109.969 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.909 -1.119 . . . . 1.0 109.184 -179.778 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.83 -45.63 85.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 1.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -63.84 -42.92 97.49 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.32 76.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.745 -0.835 . . . . 1.0 108.745 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -47.05 79.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.427 -0.796 . . . . 1.0 109.554 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.03 -46.88 79.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.246 -0.909 . . . . 1.0 109.605 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 94.9 p -63.74 -36.09 82.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.23 -0.919 . . . . 1.0 109.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.56 -47.45 85.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.272 -0.893 . . . . 1.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 90.5 mt-30 -71.88 -41.6 67.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.295 -0.878 . . . . 1.0 110.014 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.14 -48.27 71.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.259 -0.901 . . . . 1.0 109.816 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -60.04 -32.2 70.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.961 . . . . 1.0 108.901 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -62.46 -36.85 83.75 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 44.8 mmm -69.83 -38.27 76.47 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -60.74 -50.14 74.67 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 1.0 108.739 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.69 -42.44 86.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.766 -0.584 . . . . 1.0 109.812 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.06 -40.03 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 1.0 110.068 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.2 m-85 -58.17 -41.59 84.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 1.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.72 -32.05 72.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.094 -1.004 . . . . 1.0 109.332 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 59.4 m -57.8 -41.91 83.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.624 ' CB ' ' HE2' ' A' ' 610' ' ' HIS . 1.3 mt -67.25 -38.67 85.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.344 -0.848 . . . . 1.0 109.701 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.87 -43.73 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.075 -1.016 . . . . 1.0 109.195 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.44 -47.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -38.34 78.22 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.5 -47.24 22.46 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.429 -1.468 . . . . 1.0 109.429 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -57.0 -37.41 71.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.165 -1.197 . . . . 1.0 109.64 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.35 -31.35 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 1.0 109.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.78 -31.75 62.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 1.0 109.373 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.0 109.574 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' THR . . . . . 0.589 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 27.2 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.452 0.644 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . 0.588 ' H ' ' CD2' ' A' ' 671' ' ' LEU . 0.1 OUTLIER -55.26 -24.11 26.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 1.0 109.783 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . 0.589 ' H ' ' HG1' ' A' ' 670' ' ' THR . 61.3 t0 -62.42 -47.79 82.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.225 -0.922 . . . . 1.0 109.128 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.59 -34.17 66.92 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.327 -0.858 . . . . 1.0 109.394 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.6 -39.45 88.18 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.139 -0.976 . . . . 1.0 109.392 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.67 -35.92 77.44 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.276 -1.379 . . . . 1.0 107.276 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.33 -38.51 63.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 677' ' ' LEU . 2.9 tm? -69.12 -49.86 53.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 1.0 108.476 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.56 -30.88 27.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 107.962 -1.125 . . . . 1.0 107.962 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.7 65.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.533 -0.729 . . . . 1.0 109.16 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 56.6 m -63.56 -40.44 97.01 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.151 -0.968 . . . . 1.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.595 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 8.4 t -57.35 -33.24 67.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.34 -0.85 . . . . 1.0 111.297 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -28.26 60.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.287 -1.508 . . . . 1.0 110.128 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.61 -39.07 74.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 1.0 111.242 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -60.91 -53.07 67.64 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.019 -1.051 . . . . 1.0 111.991 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.595 ' CD ' ' O ' ' A' ' 681' ' ' SER . 20.1 Cg_endo -61.78 -42.9 28.79 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.95 1.766 . . . . 1.0 112.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.86 -43.09 80.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.0 108.624 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . 0.476 ' OD2' ' SD ' ' A' ' 646' ' ' MET . 51.4 t0 -72.3 -34.8 68.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 1.0 109.641 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.47 93.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.125 -0.984 . . . . 1.0 108.728 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -66.89 -41.48 87.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.559 -0.713 . . . . 1.0 109.383 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.76 -43.3 84.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.269 -0.894 . . . . 1.0 108.822 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.04 -33.21 68.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -66.85 -32.11 73.16 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 29.0 m -67.23 -42.19 84.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -0.829 . . . . 1.0 109.311 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.0 m-85 -65.1 -37.8 88.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 1.0 108.852 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 699' ' ' ALA . 12.4 mt -64.02 -36.44 84.01 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.201 -0.937 . . . . 1.0 108.539 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -68.86 -48.64 62.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.564 -0.71 . . . . 1.0 110.189 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -57.17 -25.43 54.14 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.898 -1.281 . . . . 1.0 109.898 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 698' ' ' ASN . 0.4 OUTLIER -118.1 2.21 12.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -1.186 . . . . 1.0 109.502 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -53.53 -36.07 61.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 1.0 109.756 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 90.4 p -50.92 -35.92 35.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 1.0 109.772 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 10.2 mp -87.23 -43.12 12.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.077 -1.014 . . . . 1.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.14 -36.45 40.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.951 -1.093 . . . . 1.0 108.93 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.3 m-85 -118.32 -70.8 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 32.5 ttt180 . . . . . 0 N--CA 1.485 1.317 0 O-C-N 121.651 -0.656 . . . . 1.0 109.454 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.914 -0.773 . . . . 1.0 108.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.405 ' H ' HD13 ' A' ' 554' ' ' LEU . 6.3 mp -56.33 -41.45 76.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.344 -0.848 . . . . 1.0 110.465 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.65 -44.88 96.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.115 -0.99 . . . . 1.0 110.702 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.406 ' O ' ' OG1' ' A' ' 560' ' ' THR . 99.6 t -65.73 -45.47 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.787 -1.196 . . . . 1.0 107.955 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -63.93 -40.66 96.97 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.576 -0.702 . . . . 1.0 109.32 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.44 -43.71 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 1.0 109.239 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.56 -48.69 46.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.181 -0.949 . . . . 1.0 109.354 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 18.8 m -59.98 -42.69 94.73 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.062 -1.024 . . . . 1.0 110.336 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 561' ' ' LEU . 7.7 tt -58.67 -48.37 81.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.957 -1.089 . . . . 1.0 109.985 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.6 83.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 1.0 110.638 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -61.44 -40.72 95.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 1.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.05 -37.66 69.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.075 -1.016 . . . . 1.0 109.302 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.9 -30.27 70.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.428 -0.795 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -77.53 -41.44 39.17 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.865 -1.147 . . . . 1.0 109.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . 0.414 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -58.77 -33.4 72.79 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.167 -1.573 . . . . 1.0 109.167 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.07 -48.58 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.101 -1.235 . . . . 1.0 108.726 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.5 p -66.02 -42.89 89.07 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.368 -0.833 . . . . 1.0 109.028 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.1 m -62.27 -42.48 99.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.445 -0.784 . . . . 1.0 110.207 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 51.6 p -68.04 -33.28 74.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.074 -1.016 . . . . 1.0 109.75 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.1 -38.53 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.162 -0.962 . . . . 1.0 109.247 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.89 -41.53 91.82 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.164 -0.96 . . . . 1.0 108.467 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -58.81 -50.66 73.13 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.703 -0.623 . . . . 1.0 109.594 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . 0.408 ' C ' ' CD2' ' A' ' 575' ' ' LEU . 6.7 tt -57.89 -48.97 78.29 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.432 -0.792 . . . . 1.0 109.663 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.79 -41.02 72.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 1.0 109.62 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 573' ' ' ALA . 95.5 m-20 -60.71 -41.6 95.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 1.0 109.524 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.07 -42.7 84.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 1.0 109.665 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 1.0 109.491 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 603' ' ' LYS . 75.2 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.234 0.54 . . . . 1.0 109.665 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -58.76 -44.7 90.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.189 -0.944 . . . . 1.0 109.459 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.25 -45.72 92.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.316 -0.865 . . . . 1.0 109.121 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -43.25 58.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.416 -0.803 . . . . 1.0 109.008 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 661' ' ' ASP . 72.8 tttt -61.1 -38.53 86.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.384 -0.823 . . . . 1.0 109.443 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.76 76.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 1.0 109.843 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.19 80.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.0 110.258 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.494 ' CG2' ' NE2' ' A' ' 610' ' ' HIS . 8.0 p -70.09 -36.49 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 1.0 109.843 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.57 76.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.157 -0.965 . . . . 1.0 109.742 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.46 -51.4 43.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 1.0 110.342 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -59.53 -38.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 1.0 109.713 -179.139 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.541 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 6.4 m-70 -65.45 -30.08 70.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 1.0 109.133 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -75.55 -46.01 16.24 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 110.078 -1.209 . . . . 1.0 110.078 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.67 74.33 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.951 -1.323 . . . . 1.0 109.554 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.551 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 3.0 p -63.93 -43.58 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.0 109.189 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.551 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 13.7 m80 -55.33 -30.39 60.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.926 . . . . 1.0 108.933 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -63.91 -33.62 76.12 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.918 -1.142 . . . . 1.0 107.918 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -41.36 71.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 28.7 tp -76.99 -37.91 54.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.933 -0.479 . . . . 1.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.12 -46.57 56.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.88 -1.137 . . . . 1.0 111.706 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.3 OUTLIER -65.25 -45.3 85.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.481 -1.387 . . . . 1.0 108.959 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . 0.669 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.305 -0.872 . . . . 1.0 109.814 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -63.19 -35.86 81.72 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.57 -1.331 . . . . 1.0 108.362 178.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 619' ' ' PHE . 29.3 p -60.09 -33.41 72.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.693 -1.225 . . . . 1.0 107.693 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.55 84.28 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.168 -0.679 . . . . 1.0 109.168 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.73 -41.76 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.0 109.628 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.084 0.468 . . . . 1.0 109.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.662 ' CD2' ' H ' ' A' ' 635' ' ' LEU . 0.1 OUTLIER -59.44 -49.38 78.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.875 . . . . 1.0 109.649 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 640' ' ' SER . 39.2 t-80 -59.26 -38.18 79.44 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . 0.562 ' CB ' HH21 ' A' ' 641' ' ' ARG . . . -66.11 -51.29 59.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.431 -0.951 . . . . 1.0 108.431 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -60.5 -39.57 88.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.507 -0.745 . . . . 1.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 1.8 tt -79.04 -46.21 18.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 1.0 109.649 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 636' ' ' HIS . 66.3 m -58.9 -46.46 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 1.0 109.796 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . 0.562 HH21 ' CB ' ' A' ' 637' ' ' ALA . 19.5 ptp180 -64.37 -41.67 96.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.282 -0.886 . . . . 1.0 110.378 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.501 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 61.1 tt0 -73.97 -30.43 62.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 1.0 109.981 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.01 -50.62 47.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.374 -0.829 . . . . 1.0 110.25 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.48 -38.31 90.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.205 -0.934 . . . . 1.0 109.276 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -36.23 83.73 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.91 -1.145 . . . . 1.0 107.91 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -38.78 82.64 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.88 -51.44 69.27 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.718 0.77 . . . . 1.0 109.064 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -57.73 -39.83 78.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.586 -0.696 . . . . 1.0 109.646 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.61 -42.97 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.42 -0.8 . . . . 1.0 110.33 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -58.22 -41.74 84.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.93 -1.106 . . . . 1.0 109.943 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.08 -32.7 70.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 1.0 109.104 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 71.2 m -58.6 -42.04 87.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 -35.8 81.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.383 -0.823 . . . . 1.0 109.546 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 658' ' ' GLN . 91.6 t -60.61 -43.82 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.228 -0.92 . . . . 1.0 109.385 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.81 -46.1 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 1.0 108.474 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.58 -38.5 87.77 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 107.758 -1.201 . . . . 1.0 107.758 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.42 -39.0 43.79 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.5 mm-40 -54.49 -27.01 34.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -1.198 . . . . 1.0 109.615 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 65.1 t -62.16 -38.83 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 1.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.32 70.8 0.61 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.31 -0.868 . . . . 1.0 108.989 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 603' ' ' LYS . 55.4 t0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.555 -0.716 . . . . 1.0 109.477 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.08 -25.22 20.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 1.0 109.327 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -68.15 -45.55 73.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.249 -0.907 . . . . 1.0 109.264 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.7 -36.64 69.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.924 . . . . 1.0 109.417 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.74 -35.38 80.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 1.0 109.043 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.66 -37.86 79.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -70.74 -39.2 73.46 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.135 -0.691 . . . . 1.0 109.135 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.52 -48.14 57.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.119 -0.988 . . . . 1.0 108.494 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.04 -31.69 31.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.617 -1.253 . . . . 1.0 107.617 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.86 79.92 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.45 98.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.572 -0.705 . . . . 1.0 109.455 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 12.9 t -57.05 -33.89 67.69 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.392 -0.818 . . . . 1.0 111.244 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -76.75 -30.86 56.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.346 -1.471 . . . . 1.0 109.888 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.37 67.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 1.0 111.492 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.409 ' N ' ' CD ' ' A' ' 685' ' ' PRO . 1.0 OUTLIER -61.83 -49.29 86.56 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 120.838 -1.164 . . . . 1.0 112.208 -176.357 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.9 Cg_exo -63.12 -43.38 19.21 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 121.887 1.725 . . . . 1.0 112.205 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 -41.52 84.24 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.188 -0.945 . . . . 1.0 108.665 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.95 -38.7 61.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.584 -0.698 . . . . 1.0 109.858 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.92 99.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.132 -0.98 . . . . 1.0 108.822 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.77 -36.03 82.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.445 -0.784 . . . . 1.0 109.067 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -64.38 -44.31 91.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.331 -0.856 . . . . 1.0 109.01 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -35.96 78.94 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.14 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.287 -0.883 . . . . 1.0 108.875 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 67.8 p -70.03 -38.35 75.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 1.0 109.617 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.501 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.48 -39.46 91.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 1.0 108.703 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.599 ' O ' ' N ' ' A' ' 699' ' ' ALA . 0.9 OUTLIER -63.4 -36.33 83.36 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.353 -0.842 . . . . 1.0 108.766 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -70.78 -50.11 39.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.406 -0.809 . . . . 1.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.52 -24.04 59.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.213 -1.555 . . . . 1.0 109.213 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -113.44 -2.22 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -1.033 . . . . 1.0 109.549 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.28 -39.18 56.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 1.0 109.587 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 704' ' ' ARG . 85.6 p -51.6 -37.52 50.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 1.0 109.314 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.23 -41.9 13.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.137 -0.977 . . . . 1.0 110.474 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 49.9 mt -56.79 -32.77 66.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.732 -1.23 . . . . 1.0 108.087 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 8.7 m-85 -120.84 -79.91 0.61 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.447 -0.783 . . . . 1.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 700' ' ' SER . 58.2 ttm-85 . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.775 -1.203 . . . . 1.0 110.022 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.15 -42.19 85.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.571 -0.706 . . . . 1.0 109.61 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.5 tt0 -64.8 -47.27 78.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.384 -0.823 . . . . 1.0 109.666 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.96 -45.32 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.451 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -57.22 -36.48 70.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.705 -0.622 . . . . 1.0 109.335 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -44.67 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.952 -1.093 . . . . 1.0 109.319 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 70.3 mm-40 -68.18 -51.04 50.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.23 -0.919 . . . . 1.0 109.48 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.541 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.0 t -59.7 -45.29 92.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 1.0 109.803 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 560' ' ' THR . 7.9 tp -65.98 -35.31 80.24 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.061 -1.024 . . . . 1.0 108.809 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.15 89.75 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.462 -0.774 . . . . 1.0 109.098 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.26 -31.35 69.02 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.895 . . . . 1.0 109.176 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.443 HD21 ' N ' ' A' ' 616' ' ' LEU . 9.4 mp -76.06 -37.91 57.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.837 . . . . 1.0 109.663 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -58.5 -36.68 74.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 1.0 109.457 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 567' ' ' GLY . 8.9 pt20 -79.98 -46.46 16.63 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.327 -0.858 . . . . 1.0 108.796 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 566' ' ' GLN . . . -63.68 -34.01 88.79 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 71.8 t -71.78 -48.49 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -1.222 . . . . 1.0 108.963 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.9 t -66.97 -38.81 86.77 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 1.0 108.721 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 99.7 m -61.82 -43.21 99.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.62 -0.675 . . . . 1.0 109.98 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 82.8 p -67.63 -31.73 71.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 1.0 110.167 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.22 -37.93 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.941 -1.099 . . . . 1.0 109.368 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -62.89 -40.67 98.25 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.15 -51.36 69.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.62 -0.675 . . . . 1.0 109.409 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 8.1 tp -56.48 -46.16 80.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.59 -0.693 . . . . 1.0 109.302 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.35 -34.73 75.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.636 -0.665 . . . . 1.0 109.605 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 573' ' ' ALA . 23.1 t70 -64.71 -36.72 85.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.23 -0.919 . . . . 1.0 108.954 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.74 -36.96 83.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.479 -0.763 . . . . 1.0 109.445 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.137 -0.977 . . . . 1.0 109.598 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.227 0.537 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.83 -41.95 78.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 1.0 109.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.271 -0.893 . . . . 1.0 109.293 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 36.6 tp -70.15 -41.86 73.29 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.439 -0.788 . . . . 1.0 109.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.96 -34.64 72.01 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.0 109.696 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.08 73.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.376 -0.828 . . . . 1.0 109.918 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.02 65.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.133 -0.979 . . . . 1.0 110.172 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.06 -36.95 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 1.0 109.677 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.32 71.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.956 . . . . 1.0 109.554 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.36 -52.24 35.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.199 -0.938 . . . . 1.0 110.033 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -63.89 -42.74 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.14 -0.975 . . . . 1.0 109.753 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.681 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 5.0 m-70 -64.83 -39.99 94.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.009 -1.057 . . . . 1.0 109.241 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.54 96.47 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.34 71.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.819 -1.401 . . . . 1.0 108.776 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 99.1 t -64.52 -47.35 89.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -53.8 -34.93 60.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.42 -0.8 . . . . 1.0 108.898 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.5 -32.63 72.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.884 -1.135 . . . . 1.0 108.307 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 564' ' ' LEU . 6.2 tp -70.38 -42.86 71.19 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -40.91 95.25 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.125 -0.984 . . . . 1.0 108.987 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.06 -45.33 50.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.447 -0.783 . . . . 1.0 109.865 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.13 -46.68 87.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 1.0 108.857 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.61 85.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.429 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.9 -42.9 89.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.661 -0.65 . . . . 1.0 109.527 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.5 t -58.15 -43.87 87.59 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 1.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.89 73.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 1.0 109.408 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.19 -42.98 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 1.0 109.641 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.94 . . . . 1.0 109.673 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.34 -45.1 88.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.0 109.293 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.19 -44.61 91.47 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.22 -46.95 75.94 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -44.66 79.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.52 -0.737 . . . . 1.0 109.457 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.55 -46.4 89.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.943 . . . . 1.0 109.526 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.8 t -61.52 -37.35 83.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 1.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -59.86 -46.43 89.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.295 -0.878 . . . . 1.0 110.63 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.482 HE22 ' HB2' ' A' ' 694' ' ' PHE . 7.7 pt20 -71.22 -26.45 62.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.925 -1.109 . . . . 1.0 109.889 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -45.41 43.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 1.0 110.08 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -64.63 -41.81 95.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 1.0 109.581 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -65.88 -31.12 71.87 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.185 -1.042 . . . . 1.0 108.185 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -68.42 -36.52 79.2 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.713 -0.847 . . . . 1.0 108.713 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.6 -50.84 69.68 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.232 -1.025 . . . . 1.0 108.232 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.01 -44.76 72.12 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.967 -0.458 . . . . 1.0 109.925 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 18.6 t -66.0 -42.65 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.288 -0.882 . . . . 1.0 110.024 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.681 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 40.8 t80 -61.47 -34.55 75.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.384 -0.823 . . . . 1.0 110.765 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -78.19 -30.93 49.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 1.0 109.865 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.0 m -57.88 -49.04 78.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.0 . . . . 1.0 109.321 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.58 -33.91 71.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 1.0 109.334 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.85 -43.73 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.327 -0.858 . . . . 1.0 109.361 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.7 t -66.03 -39.22 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 1.0 108.394 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -64.61 -38.94 92.74 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.816 -1.179 . . . . 1.0 107.816 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.76 -48.53 16.7 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -56.42 -25.68 51.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -1.189 . . . . 1.0 109.536 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.87 -36.03 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.227 -0.921 . . . . 1.0 109.674 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 660' ' ' LEU . 1.7 pp -51.59 -28.87 15.34 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.296 -0.878 . . . . 1.0 109.489 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 1.0 109.478 179.732 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.212 0.529 . . . . 1.0 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.39 -24.2 18.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 1.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -65.93 -46.7 77.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -0.929 . . . . 1.0 109.142 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.38 -37.03 72.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.4 -0.813 . . . . 1.0 109.577 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.9 -37.9 88.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.21 -0.932 . . . . 1.0 109.437 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -59.06 -35.52 73.48 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -71.42 -41.97 68.88 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.4 -49.3 50.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 1.0 108.401 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.54 -31.52 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.058 -1.09 . . . . 1.0 108.058 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.88 -42.86 84.86 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.898 -0.779 . . . . 1.0 108.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.15 -36.43 83.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.264 -0.898 . . . . 1.0 109.359 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 15.6 t -56.71 -35.69 68.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.269 -0.894 . . . . 1.0 110.483 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -78.95 -34.97 43.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.748 -1.22 . . . . 1.0 109.878 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.28 64.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.922 . . . . 1.0 110.936 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.482 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.5 t -57.39 -53.89 60.68 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.004 -1.06 . . . . 1.0 112.249 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 35.0 Cg_endo -65.51 -38.81 23.95 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 121.896 1.731 . . . . 1.0 112.788 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -60.01 -41.98 93.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.004 -1.06 . . . . 1.0 108.183 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -74.73 -32.04 62.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.524 -0.735 . . . . 1.0 109.278 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.46 91.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 1.0 108.493 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -65.99 -37.2 85.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.51 -0.744 . . . . 1.0 109.006 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -59.42 -42.01 90.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.326 -0.858 . . . . 1.0 108.79 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.2 -34.61 70.56 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.33 77.3 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.0 m -71.25 -45.69 62.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.318 -0.864 . . . . 1.0 109.302 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.495 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -64.82 -36.83 85.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 1.0 108.796 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 699' ' ' ALA . 5.7 mp -60.72 -37.23 81.02 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -64.36 -47.22 80.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.567 -0.708 . . . . 1.0 109.496 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.83 -23.03 60.7 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.947 -1.661 . . . . 1.0 108.947 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.623 ' N ' HD21 ' A' ' 698' ' ' ASN . 0.7 OUTLIER -107.5 -0.97 21.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.402 -1.058 . . . . 1.0 109.638 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -57.91 -26.99 62.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 1.0 109.368 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 704' ' ' ARG . 27.7 t -64.99 -50.52 65.99 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.2 -0.938 . . . . 1.0 109.571 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 -10.94 17.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.157 -0.965 . . . . 1.0 111.012 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 698' ' ' ASN . 58.3 tp -67.23 -29.94 69.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.634 -1.292 . . . . 1.0 108.511 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 557' ' ' ALA . 62.4 m-85 -118.06 -84.13 0.65 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -0.84 . . . . 1.0 109.531 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 700' ' ' SER . 76.6 mtp180 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.359 -0.838 . . . . 1.0 110.075 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.89 -34.31 77.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 1.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.1 mt-10 -65.1 -46.42 81.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 1.0 110.034 -178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.551 ' O ' ' OG1' ' A' ' 560' ' ' THR . 49.8 t -66.84 -47.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.782 -1.199 . . . . 1.0 107.847 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.62 -35.3 68.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.633 -0.667 . . . . 1.0 109.777 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.9 -43.85 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.786 -1.196 . . . . 1.0 109.389 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.4 OUTLIER -73.7 -44.73 55.69 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.243 -0.911 . . . . 1.0 109.916 -179.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.73 -47.12 86.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.978 -1.076 . . . . 1.0 110.42 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -35.46 71.57 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.792 -1.193 . . . . 1.0 109.381 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.08 89.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 1.0 109.69 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -66.58 -34.18 77.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.074 -1.016 . . . . 1.0 108.906 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 619' ' ' PHE . 6.2 mp -67.99 -42.24 81.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 1.0 108.863 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . 0.485 ' NE2' ' CB ' ' A' ' 692' ' ' ALA . 63.2 mt-30 -60.18 -35.37 75.21 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.329 -0.857 . . . . 1.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -78.95 -46.39 18.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.653 -1.279 . . . . 1.0 108.31 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . 0.402 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -61.39 -33.33 84.21 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.737 -1.745 . . . . 1.0 108.737 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 68.1 t -70.06 -49.33 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.149 . . . . 1.0 108.819 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 39.6 m -66.57 -39.8 88.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.903 . . . . 1.0 108.835 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.3 m -62.95 -43.28 99.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.483 -0.761 . . . . 1.0 110.113 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 73.0 p -67.35 -33.23 74.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 1.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 57.0 t -63.59 -39.18 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.261 -0.899 . . . . 1.0 108.989 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.34 83.67 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 1.0 109.467 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -57.92 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.0 109.456 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.24 -46.07 79.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 1.0 109.452 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.74 -35.39 77.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 1.0 108.838 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.08 -38.0 66.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 1.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.46 -44.17 36.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 1.0 109.429 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.89 . . . . 1.0 109.586 -179.415 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -56.39 -37.16 69.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 1.0 109.381 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.301 -0.874 . . . . 1.0 109.043 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.22 -43.17 64.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.501 -0.75 . . . . 1.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.0 -35.49 76.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 1.0 109.504 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.89 76.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.9 . . . . 1.0 110.04 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.31 80.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 1.0 109.956 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.16 -37.61 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 1.0 109.491 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.99 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 1.0 109.371 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.8 92.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.912 . . . . 1.0 109.646 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.92 -43.19 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.113 -0.992 . . . . 1.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.588 ' ND1' ' CE1' ' A' ' 650' ' ' TYR . 18.3 m-70 -70.13 -31.17 68.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.112 -0.992 . . . . 1.0 109.567 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.83 -42.08 99.42 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.8 71.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.113 -1.228 . . . . 1.0 109.538 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.452 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 78.2 t -67.39 -46.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.081 -1.012 . . . . 1.0 108.978 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -54.6 -34.6 62.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.276 -0.89 . . . . 1.0 108.813 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.07 -34.7 78.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.163 -0.96 . . . . 1.0 108.722 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 2.8 tt -68.72 -42.35 77.77 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -42.22 95.89 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.589 -0.893 . . . . 1.0 108.589 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.01 -45.16 59.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 1.0 110.522 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.41 ' CD2' ' CD2' ' A' ' 564' ' ' LEU . 3.2 m-85 -63.95 -47.53 80.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.952 -1.092 . . . . 1.0 109.384 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.77 92.31 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.328 -0.858 . . . . 1.0 109.218 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.43 -39.39 92.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.099 -1.001 . . . . 1.0 109.703 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 50.0 m -57.18 -39.16 74.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.693 -1.255 . . . . 1.0 108.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.52 86.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.0 109.326 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.2 -42.91 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 1.0 109.527 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 1.0 109.559 -179.841 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.519 -0.549 . . . . 1.0 109.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.14 -44.03 83.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 1.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -62.93 -44.26 96.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 1.0 108.573 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.58 -48.22 79.97 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.867 -0.79 . . . . 1.0 108.867 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.74 88.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.418 -0.801 . . . . 1.0 109.672 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 64.6 tp -58.11 -46.97 84.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.286 -0.884 . . . . 1.0 110.194 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.0 99.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.077 -1.015 . . . . 1.0 110.3 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -60.76 -46.06 91.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.09 -1.006 . . . . 1.0 110.604 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.448 HE22 ' HZ2' ' A' ' 645' ' ' LYS . 60.2 tp60 -72.75 -33.82 66.61 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.926 -1.109 . . . . 1.0 110.005 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.45 -47.07 65.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.206 -0.934 . . . . 1.0 110.101 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.96 -37.26 87.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 1.0 109.547 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.448 ' HZ2' HE22 ' A' ' 642' ' ' GLN . 30.0 ttpt -64.5 -34.19 77.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.545 -1.28 . . . . 1.0 107.545 178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -38.94 83.03 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.65 -51.09 68.64 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -67.55 -43.59 80.32 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.596 -0.69 . . . . 1.0 109.52 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' A' ' 652' ' ' THR . 38.6 t -67.28 -40.42 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.339 -0.85 . . . . 1.0 110.135 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.588 ' CE1' ' ND1' ' A' ' 610' ' ' HIS . 45.6 t80 -66.52 -35.88 81.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.859 -1.151 . . . . 1.0 109.619 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -72.28 -33.03 67.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.07 -1.019 . . . . 1.0 109.46 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' ' 653' ' ' LEU . 76.3 p -61.98 -41.27 97.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 1.0 109.121 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.488 ' N ' ' HG1' ' A' ' 652' ' ' THR . 85.5 mt -68.71 -34.43 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.391 -0.818 . . . . 1.0 109.816 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.01 -42.88 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.03 -1.044 . . . . 1.0 109.427 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.83 -44.35 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -61.47 -39.62 91.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.341 -1.355 . . . . 1.0 107.341 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -71.68 -43.96 50.22 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.464 -1.454 . . . . 1.0 109.464 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.86 -30.72 61.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.059 -1.26 . . . . 1.0 109.72 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.58 -32.38 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 1.0 110.29 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.55 -30.41 41.78 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.018 -1.051 . . . . 1.0 109.648 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 1.0 109.546 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.05 -25.63 22.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.0 109.202 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -64.51 -47.18 79.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.227 -0.921 . . . . 1.0 109.522 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -57.75 -32.87 67.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 1.0 110.048 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -39.1 93.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.015 . . . . 1.0 109.648 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.67 -35.2 75.64 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.102 -1.444 . . . . 1.0 107.102 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -70.96 -42.66 69.47 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.13 -0.692 . . . . 1.0 109.13 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 16.8 mt -70.18 -47.35 61.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 1.0 108.777 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.58 -32.02 35.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.03 -43.69 67.37 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.605 -0.684 . . . . 1.0 109.22 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.09 -39.08 86.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.183 -0.948 . . . . 1.0 109.686 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 27.0 t -57.36 -35.15 69.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.236 -0.915 . . . . 1.0 110.53 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.73 -30.8 56.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.855 -1.153 . . . . 1.0 110.087 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.16 -46.12 62.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.158 -0.964 . . . . 1.0 111.812 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -58.12 -51.42 81.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.934 -1.104 . . . . 1.0 112.493 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.9 Cg_endo -64.3 -41.72 20.21 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 121.972 1.781 . . . . 1.0 112.634 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.61 -40.52 97.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.018 -1.051 . . . . 1.0 108.223 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -75.56 -32.68 60.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.52 -0.738 . . . . 1.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.42 86.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.234 -0.916 . . . . 1.0 109.167 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -38.2 82.26 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.37 -0.831 . . . . 1.0 109.506 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.34 -43.71 98.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.329 -0.857 . . . . 1.0 108.964 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.71 -33.6 71.82 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . 0.485 ' CB ' ' NE2' ' A' ' 565' ' ' GLN . . . -59.82 -35.65 75.17 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' SER . . . . . 0.58 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 29.4 t -69.8 -41.85 74.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.86 . . . . 1.0 109.299 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.509 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -70.7 -29.44 65.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.92 . . . . 1.0 108.546 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.07 -38.01 81.9 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.609 ' CD2' ' N ' ' A' ' 697' ' ' GLY . 1.3 p-80 -73.05 -40.15 65.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.484 -0.76 . . . . 1.0 109.564 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . 0.609 ' N ' ' CD2' ' A' ' 696' ' ' HIS . . . -55.59 -27.97 50.17 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.374 -1.49 . . . . 1.0 109.374 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.5 OUTLIER -118.59 7.63 11.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.356 -1.085 . . . . 1.0 109.549 -179.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.45 49.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.177 -0.952 . . . . 1.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.4 t -50.89 -35.4 32.73 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.922 . . . . 1.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.36 -43.42 11.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.965 . . . . 1.0 110.611 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 51.4 mt -53.5 -32.5 50.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.178 . . . . 1.0 108.749 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 8.6 m-85 -121.66 -68.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 1.0 109.235 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 33.0 ttt85 . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.43 -0.794 . . . . 1.0 109.667 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 108.131 -1.063 . . . . 1.0 108.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.21 -37.96 89.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.492 -0.755 . . . . 1.0 111.001 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.52 -42.89 91.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.926 -1.109 . . . . 1.0 110.535 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.513 ' O ' ' OG1' ' A' ' 560' ' ' THR . 15.8 t -75.43 -43.23 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.629 -1.294 . . . . 1.0 108.089 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.12 94.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 1.0 109.498 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -32.13 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.67 -1.269 . . . . 1.0 108.798 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.29 -49.6 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.423 -0.798 . . . . 1.0 109.697 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -68.61 -34.83 76.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.902 . . . . 1.0 109.84 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.53 -44.97 96.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.9 -1.125 . . . . 1.0 109.036 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.4 81.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 1.0 109.871 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -61.23 -32.34 72.13 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.115 -0.991 . . . . 1.0 108.739 178.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.3 -37.62 74.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.607 -0.683 . . . . 1.0 109.702 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . 0.436 HE22 ' CB ' ' A' ' 688' ' ' ALA . 43.9 mm-40 -61.28 -30.09 70.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 1.0 109.496 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.436 ' O ' ' OG1' ' A' ' 570' ' ' THR . 99.4 mm-40 -77.76 -47.69 18.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 1.0 108.562 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . 0.419 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -63.14 -33.39 87.12 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.98 -49.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.992 -1.299 . . . . 1.0 109.049 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 t -66.88 -39.79 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 1.0 108.725 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 86.9 m -62.62 -42.73 99.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.545 -0.722 . . . . 1.0 110.12 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 53.2 p -67.39 -32.82 73.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 1.0 109.864 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.57 -39.07 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 1.0 109.495 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.3 84.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.148 -0.97 . . . . 1.0 108.721 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . 0.426 ' NE2' ' CD1' ' A' ' 578' ' ' LEU . 29.2 t60 -59.65 -50.22 74.71 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.587 -0.696 . . . . 1.0 109.484 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.18 -45.42 72.12 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.229 -0.919 . . . . 1.0 109.003 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.77 -35.2 69.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -58.35 -37.98 76.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.916 . . . . 1.0 109.223 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . 0.426 ' CD1' ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.99 -42.95 84.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.311 -0.868 . . . . 1.0 109.468 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.0 109.498 179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.0 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.184 0.516 . . . . 1.0 109.668 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' A' ' 600' ' ' GLN . 7.3 mp0 -57.79 -42.28 83.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 1.0 109.274 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.427 -0.795 . . . . 1.0 109.201 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -43.14 35.3 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.304 -0.872 . . . . 1.0 109.004 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -65.27 -38.27 89.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.847 . . . . 1.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.73 72.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 1.0 109.958 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.19 -47.21 62.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 1.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.454 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 14.8 p -69.56 -37.57 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 1.0 109.712 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.9 83.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.966 . . . . 1.0 109.42 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.84 87.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.214 -0.929 . . . . 1.0 109.902 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -44.33 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.021 -1.05 . . . . 1.0 109.529 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.585 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 31.2 m170 -68.24 -29.33 68.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.087 -1.008 . . . . 1.0 108.899 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.81 98.56 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.9 76.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.262 . . . . 1.0 109.443 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 86.8 t -66.89 -45.32 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.212 -0.93 . . . . 1.0 109.397 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -56.23 -33.75 65.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.442 -0.786 . . . . 1.0 110.606 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.17 -34.08 77.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.706 -1.246 . . . . 1.0 108.729 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.74 -38.99 87.76 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.438 -1.319 . . . . 1.0 107.438 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -40.44 96.27 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -72.51 -45.5 59.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.0 109.189 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.98 -47.25 78.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 1.0 108.748 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.71 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.848 -1.167 . . . . 1.0 107.848 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -59.98 -41.23 91.55 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 38.2 p -58.26 -37.18 74.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.238 -0.914 . . . . 1.0 108.645 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.68 94.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.451 -0.781 . . . . 1.0 109.065 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.28 -35.48 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 1.0 109.606 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.3 -0.875 . . . . 1.0 110.008 -179.78 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 81.8 m . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.227 0.537 . . . . 1.0 109.568 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 635' ' ' LEU . 4.1 mm? -59.28 -45.97 89.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 1.0 109.558 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . 0.417 ' NE2' ' CD2' ' A' ' 702' ' ' LEU . 0.1 OUTLIER -63.05 -42.59 99.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.064 -1.022 . . . . 1.0 108.266 178.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.2 78.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.732 -0.84 . . . . 1.0 108.732 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -42.95 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.748 . . . . 1.0 109.177 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.13 -47.42 85.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.392 -0.818 . . . . 1.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.0 t -58.63 -42.74 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 1.0 109.955 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -61.61 -44.82 96.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.138 -0.976 . . . . 1.0 110.24 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.4 ' OE1' ' CG ' ' A' ' 694' ' ' PHE . 59.7 tt0 -74.35 -36.43 63.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.965 -1.084 . . . . 1.0 110.107 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.9 tt -68.8 -49.85 55.11 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.225 -0.922 . . . . 1.0 110.247 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.52 -36.59 84.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.041 -1.037 . . . . 1.0 108.92 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -34.65 78.74 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.459 -1.312 . . . . 1.0 107.459 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -37.92 80.14 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.197 -1.038 . . . . 1.0 108.197 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -63.59 -52.38 61.22 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.952 -0.758 . . . . 1.0 108.952 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.51 -42.81 82.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.614 -0.679 . . . . 1.0 109.323 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.06 -40.25 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.838 . . . . 1.0 110.025 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.585 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 42.4 t80 -68.53 -35.65 77.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.032 -1.043 . . . . 1.0 109.392 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.64 -36.08 67.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.217 -0.927 . . . . 1.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.7 m -60.82 -43.0 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.204 -0.935 . . . . 1.0 109.251 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.25 -35.23 71.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.406 -0.809 . . . . 1.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.2 -44.03 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.063 . . . . 1.0 109.499 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.83 -41.53 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 1.0 108.361 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.51 -37.32 87.14 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.16 -46.74 20.45 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.94 -28.6 62.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -1.221 . . . . 1.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.24 -35.05 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.249 -0.907 . . . . 1.0 109.767 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.93 -35.61 61.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.995 . . . . 1.0 109.483 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.0 109.49 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.324 0.583 . . . . 1.0 110.1 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.22 -26.17 27.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.383 -0.823 . . . . 1.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.75 -46.83 77.37 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.237 -0.914 . . . . 1.0 109.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.67 -31.19 66.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.445 -0.784 . . . . 1.0 109.583 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.26 -36.26 81.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.205 -0.934 . . . . 1.0 109.141 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.97 -35.79 77.72 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.006 -1.479 . . . . 1.0 107.006 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -71.3 -41.17 70.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 109.333 -0.618 . . . . 1.0 109.333 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.09 -47.24 59.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.976 -1.078 . . . . 1.0 108.499 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.88 -32.63 43.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 107.844 -1.169 . . . . 1.0 107.844 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.06 67.49 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 108.399 -0.964 . . . . 1.0 108.399 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.7 m -66.45 -37.45 85.18 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.6 t -56.48 -34.55 67.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 1.0 110.112 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -77.04 -30.76 55.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.816 -1.178 . . . . 1.0 109.202 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.85 -44.68 54.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.335 -0.853 . . . . 1.0 112.272 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.487 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.0 t -60.09 -50.2 87.38 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 120.557 -1.34 . . . . 1.0 112.333 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.7 Cg_endo -67.25 -39.54 12.93 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.99 1.794 . . . . 1.0 112.343 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.69 -40.19 91.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.718 -1.216 . . . . 1.0 107.718 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.84 -34.29 64.48 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . 0.436 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -60.2 -41.82 93.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.94 . . . . 1.0 109.061 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -39.15 91.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.463 -0.773 . . . . 1.0 109.103 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.03 -43.39 87.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 1.0 109.063 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 48.3 tp -58.66 -33.76 70.47 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.25 -0.906 . . . . 1.0 108.675 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.13 -34.54 78.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.876 . . . . 1.0 109.154 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.2 m -68.44 -41.7 79.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.4 ' CG ' ' OE1' ' A' ' 642' ' ' GLN . 3.7 m-85 -68.41 -33.15 73.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 1.0 108.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 695' ' ' LEU . 0.2 OUTLIER -61.55 -37.11 82.58 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.416 -0.802 . . . . 1.0 109.256 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -68.3 -44.22 75.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.376 -0.827 . . . . 1.0 109.912 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.68 -24.82 57.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.432 -1.467 . . . . 1.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.63 ' N ' HD21 ' A' ' 698' ' ' ASN . 0.6 OUTLIER -111.62 2.51 17.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -1.135 . . . . 1.0 109.837 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -49.15 -25.13 1.98 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.094 -1.003 . . . . 1.0 109.317 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.6 p -76.92 -31.99 57.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.187 -0.946 . . . . 1.0 109.737 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 10.8 mp -93.03 -45.64 7.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.147 -0.971 . . . . 1.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.417 ' CD2' ' NE2' ' A' ' 636' ' ' HIS . 15.0 mt -55.78 -29.08 59.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.731 -1.231 . . . . 1.0 108.24 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 703' ' ' PHE . 40.7 m-85 -121.51 -112.12 0.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.453 -0.779 . . . . 1.0 109.028 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.834 . . . . 1.0 110.05 -179.545 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.407 0.622 . . . . 1.0 109.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.29 -39.76 84.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.773 . . . . 1.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 1.0 109.753 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.3 -39.38 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.36 91.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -36.47 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.174 -0.954 . . . . 1.0 109.057 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.05 -49.07 66.37 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 53.4 m -58.92 -47.75 83.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.327 -0.858 . . . . 1.0 109.754 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.72 -45.64 74.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.169 -0.957 . . . . 1.0 110.055 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -43.56 73.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.134 -0.978 . . . . 1.0 109.766 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.406 ' NH1' ' CB ' ' A' ' 563' ' ' ARG . 20.2 mtp-105 -70.73 -32.28 69.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 1.0 110.181 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 564' ' ' LEU . 4.6 mp -68.14 -43.25 78.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 1.0 110.026 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.4 -32.21 73.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 1.0 109.081 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.423 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.0 mt-30 -77.43 -50.65 12.25 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -63.41 -33.1 86.32 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 108.786 -1.725 . . . . 1.0 108.786 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 564' ' ' LEU . 72.1 t -73.17 -49.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -1.058 . . . . 1.0 108.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.38 -39.47 89.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.841 . . . . 1.0 108.913 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 98.9 m -62.62 -43.07 99.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.517 -0.74 . . . . 1.0 110.379 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 75.7 p -67.77 -31.72 71.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.033 . . . . 1.0 110.366 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.96 -39.6 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.909 -1.119 . . . . 1.0 109.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -61.07 -39.25 89.16 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.149 -0.969 . . . . 1.0 108.495 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -57.73 -51.13 70.82 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.561 -0.712 . . . . 1.0 109.432 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.3 tp -56.67 -46.26 81.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 1.0 109.517 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.1 -32.81 71.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.365 -0.834 . . . . 1.0 109.193 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 573' ' ' ALA . 21.4 t70 -63.79 -35.53 80.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.253 -0.904 . . . . 1.0 109.133 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.44 -37.48 80.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 1.0 109.5 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 1.0 109.508 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -56.6 -45.26 81.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 1.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -58.17 -34.51 70.41 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.418 -0.801 . . . . 1.0 109.285 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.32 76.53 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.356 -0.84 . . . . 1.0 109.066 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -64.75 -36.1 83.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 1.0 109.558 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -36.83 75.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 1.0 109.798 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.83 -47.77 57.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.0 109.992 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 5.4 p -70.15 -36.58 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.04 -1.038 . . . . 1.0 109.493 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . 0.4 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -60.36 -36.6 78.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 1.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.79 60.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.261 -0.9 . . . . 1.0 109.42 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -64.87 -42.73 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 1.0 108.992 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' A' ' 650' ' ' TYR . 4.7 t-80 -60.62 -44.03 96.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.972 . . . . 1.0 109.503 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.89 -39.48 96.97 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.677 -1.369 . . . . 1.0 109.677 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.74 74.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.071 -1.252 . . . . 1.0 110.121 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.581 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 71.0 t -70.97 -44.87 75.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 120.913 -1.117 . . . . 1.0 108.328 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.469 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 12.4 t-80 -56.75 -38.43 72.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 1.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -68.92 -28.11 66.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.595 -1.316 . . . . 1.0 108.273 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.61 -34.93 67.71 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.856 -0.794 . . . . 1.0 108.856 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.23 -39.82 53.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.0 110.06 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 44.6 mt-10 -72.33 -47.79 46.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.155 -0.966 . . . . 1.0 111.494 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.752 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -67.62 -39.79 84.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.717 -1.239 . . . . 1.0 108.893 -179.145 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . 0.752 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.74 -39.06 92.99 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.426 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -61.15 -37.6 83.44 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.429 0.633 . . . . 1.0 109.39 178.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 30.8 t -60.27 -37.74 81.37 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.481 -0.762 . . . . 1.0 110.094 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.18 86.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 1.0 110.109 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.77 -39.92 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.224 -0.923 . . . . 1.0 109.936 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.048 -1.032 . . . . 1.0 109.635 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.25 0.548 . . . . 1.0 109.64 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -47.28 84.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 1.0 109.464 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -44.9 95.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 1.0 108.36 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.34 76.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.42 94.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.0 109.332 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' A' ' 698' ' ' ASN . 5.4 tt -59.51 -47.56 85.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0 109.983 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' SER . . . . . 0.435 ' O ' ' OE1' ' A' ' 644' ' ' GLN . 23.1 t -60.33 -39.1 85.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.244 -0.91 . . . . 1.0 110.396 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -62.23 -45.54 92.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.0 110.115 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -74.8 -33.97 62.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.216 -0.928 . . . . 1.0 109.813 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.46 -50.2 64.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 1.0 109.403 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 644' ' ' GLN . 1.1 mp0 -63.17 -37.63 87.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.439 -0.788 . . . . 1.0 110.106 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.01 -33.16 75.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.798 -1.189 . . . . 1.0 108.222 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -38.34 79.99 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.486 -0.931 . . . . 1.0 108.486 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.33 -50.71 68.94 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -65.14 -42.81 93.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.636 ' CZ ' ' CD2' ' A' ' 610' ' ' HIS . 10.9 t80 -64.15 -35.79 81.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 1.0 110.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -31.16 72.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.972 . . . . 1.0 109.823 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 19.4 m -64.59 -38.56 91.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.052 -1.03 . . . . 1.0 109.46 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.73 -39.24 93.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 1.0 109.636 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.22 -44.78 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.171 -0.956 . . . . 1.0 110.028 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.57 -46.84 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.901 -1.124 . . . . 1.0 108.285 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -59.47 -39.0 82.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.7 -44.79 24.6 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.1 -36.46 68.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.431 -1.629 . . . . 1.0 109.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.42 -36.97 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.87 -33.88 67.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.409 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.0 109.576 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.309 0.575 . . . . 1.0 109.771 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.15 -25.47 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 1.0 109.816 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -67.17 -46.89 72.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.216 -0.928 . . . . 1.0 109.223 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . 0.455 ' CG ' HH21 ' A' ' 676' ' ' ARG . 59.7 t0 -57.51 -34.2 68.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 1.0 109.738 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.19 -35.61 80.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 1.0 109.404 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.19 -35.99 78.65 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.192 -1.41 . . . . 1.0 107.192 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.455 HH21 ' CG ' ' A' ' 673' ' ' ASP . 64.6 mtm180 -70.75 -41.95 71.11 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.61 -47.5 59.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.013 -1.054 . . . . 1.0 108.644 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.33 -32.74 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.83 57.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 87.8 m -64.53 -37.92 89.21 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.372 -0.83 . . . . 1.0 109.106 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.591 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 33.6 t -55.79 -33.76 64.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 1.0 110.443 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -75.28 -27.89 59.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 1.0 109.95 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.37 70.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.061 -1.024 . . . . 1.0 110.844 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.502 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -57.09 -52.94 70.39 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.094 -1.004 . . . . 1.0 112.334 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.591 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.1 Cg_endo -62.85 -41.51 29.54 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.687 1.592 . . . . 1.0 112.902 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.56 -42.72 98.34 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.967 -1.083 . . . . 1.0 109.002 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -72.52 -34.12 67.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.26 -0.9 . . . . 1.0 109.43 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.95 82.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.152 -0.967 . . . . 1.0 108.957 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . 0.532 ' CB ' ' HZ1' ' A' ' 689' ' ' LYS . 7.9 mtpm? -64.65 -36.97 85.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.378 -0.826 . . . . 1.0 109.342 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.2 -45.15 85.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.457 -0.777 . . . . 1.0 109.453 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.88 -36.09 74.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.116 -0.99 . . . . 1.0 108.36 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.48 73.37 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.635 -0.876 . . . . 1.0 108.635 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 26.7 t -72.03 -42.94 65.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.443 -0.786 . . . . 1.0 109.724 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.522 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.6 m-85 -66.16 -40.65 90.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.091 -1.006 . . . . 1.0 108.408 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 699' ' ' ALA . 7.9 mp -66.26 -36.64 83.53 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 7.4 t60 -72.5 -36.21 68.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.427 -0.795 . . . . 1.0 109.734 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.61 67.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 108.906 -1.678 . . . . 1.0 108.906 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.59 HD22 ' CD1' ' A' ' 639' ' ' LEU . 3.6 p30 -125.66 8.05 7.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.415 -1.05 . . . . 1.0 109.584 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.49 -40.54 62.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.131 -0.981 . . . . 1.0 109.653 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.9 m -48.19 -32.83 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -0.945 . . . . 1.0 109.722 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.61 -39.88 13.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.184 -0.947 . . . . 1.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.09 -32.23 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.763 -1.211 . . . . 1.0 108.484 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 -67.01 1.02 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 1.0 109.158 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 14.0 tpt85 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 1.0 109.977 179.689 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.175 -1.046 . . . . 1.0 108.175 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.82 -43.17 69.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.577 -0.702 . . . . 1.0 109.398 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -63.61 -41.18 98.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.0 109.845 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.528 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.3 t -74.09 -37.49 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.677 -1.265 . . . . 1.0 107.902 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.3 -42.97 74.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.638 -0.664 . . . . 1.0 109.659 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.84 -33.57 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.376 -0.827 . . . . 1.0 110.811 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -73.05 -51.47 18.0 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.573 -1.329 . . . . 1.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.528 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -61.02 -43.58 98.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.505 -0.747 . . . . 1.0 109.828 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.24 -41.17 90.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.074 -1.016 . . . . 1.0 109.428 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.55 79.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.204 -0.935 . . . . 1.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.486 ' NH1' ' CD1' ' A' ' 564' ' ' LEU . 2.2 ttt-85 -63.27 -33.63 75.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.225 -0.922 . . . . 1.0 109.073 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.486 ' CD1' ' NH1' ' A' ' 563' ' ' ARG . 4.7 mp -67.09 -40.29 86.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.413 -0.804 . . . . 1.0 110.076 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.38 -31.89 72.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 1.0 109.92 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -77.3 -48.41 17.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 1.0 108.343 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.4 76.3 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 571' ' ' THR . 75.1 t -72.16 -48.07 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -1.227 . . . . 1.0 108.391 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.9 m -63.78 -41.59 97.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.355 -0.98 . . . . 1.0 108.355 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 59.5 m -60.97 -42.07 97.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.621 -0.674 . . . . 1.0 109.825 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 568' ' ' VAL . 12.8 p -63.0 -32.98 74.46 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.192 -0.942 . . . . 1.0 110.376 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.33 -37.85 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.926 -1.109 . . . . 1.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.85 87.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 1.0 108.56 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -58.23 -49.41 77.18 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.536 -0.727 . . . . 1.0 109.728 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.02 -48.74 75.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.375 -0.828 . . . . 1.0 109.535 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.26 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -0.775 . . . . 1.0 109.381 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.29 -39.33 82.64 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.195 -0.94 . . . . 1.0 108.872 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.92 -43.3 96.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.43 -0.794 . . . . 1.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.935 . . . . 1.0 109.492 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.13 0.49 . . . . 1.0 110.089 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -57.42 -37.08 72.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.293 -0.88 . . . . 1.0 109.329 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.32 -43.22 70.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.394 -0.816 . . . . 1.0 108.999 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -58.27 -35.32 71.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.35 -0.844 . . . . 1.0 109.818 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.04 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.185 -0.947 . . . . 1.0 109.994 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.56 59.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.231 -0.918 . . . . 1.0 110.254 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.48 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 1.0 109.728 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -68.54 -26.55 65.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.205 -0.934 . . . . 1.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.45 -51.32 44.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.236 -0.915 . . . . 1.0 109.973 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -63.08 -43.04 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.129 -0.982 . . . . 1.0 109.28 -179.495 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.59 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 64.5 m170 -60.86 -43.59 98.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.0 108.87 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.61 -40.98 98.64 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 110.12 -1.192 . . . . 1.0 110.12 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.92 73.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.92 -1.341 . . . . 1.0 109.576 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.438 ' CG1' ' CD1' ' A' ' 650' ' ' TYR . 71.9 t -64.51 -46.46 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 1.0 109.145 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -53.26 -38.06 62.7 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.05 -32.54 73.07 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -44.29 68.86 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.372 -1.344 . . . . 1.0 107.372 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -40.55 95.82 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.889 -1.152 . . . . 1.0 107.889 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.24 -44.54 62.74 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 1.0 109.585 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.88 -48.29 77.26 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.059 -1.026 . . . . 1.0 108.644 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.08 95.84 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.439 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.36 -42.92 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.678 -0.639 . . . . 1.0 109.464 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.5 p -64.48 -39.68 94.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.31 -0.869 . . . . 1.0 109.056 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.69 -47.66 81.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.332 -0.855 . . . . 1.0 109.51 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.16 -35.55 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.248 -0.908 . . . . 1.0 109.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.244 -0.91 . . . . 1.0 109.324 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.193 0.52 . . . . 1.0 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.75 -48.26 80.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 1.0 109.468 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 640' ' ' SER . 75.7 m80 -58.22 -44.03 87.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.331 -0.988 . . . . 1.0 108.331 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.44 67.64 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.507 -0.746 . . . . 1.0 109.004 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.46 -44.58 96.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.345 -0.847 . . . . 1.0 109.509 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.484 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.5 tt -71.16 -46.43 61.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -0.823 . . . . 1.0 109.3 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 636' ' ' HIS . 44.6 t -58.1 -42.2 85.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 1.0 109.765 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -58.7 -45.57 89.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.078 -1.014 . . . . 1.0 109.949 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 694' ' ' PHE . 27.1 mt-30 -70.17 -33.42 71.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 1.0 110.216 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.75 -48.17 72.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.147 -0.971 . . . . 1.0 109.816 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.84 -37.49 81.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.282 -0.886 . . . . 1.0 108.966 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -66.72 -36.01 81.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.24 -37.15 83.08 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.042 -1.095 . . . . 1.0 108.042 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -63.2 -52.42 62.37 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.654 0.74 . . . . 1.0 109.168 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -67.43 -43.9 80.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.615 -0.678 . . . . 1.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 23.2 t -61.19 -45.09 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.282 -0.886 . . . . 1.0 110.113 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.59 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 36.6 t80 -69.76 -35.69 75.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.98 -1.075 . . . . 1.0 110.671 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.29 -36.01 68.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.674 -1.266 . . . . 1.0 109.937 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 50.5 m -61.69 -43.29 99.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 1.0 109.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 657' ' ' GLY . 86.7 mt -68.89 -36.58 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 1.0 109.694 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.09 -44.23 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.595 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.35 -44.19 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.078 -1.014 . . . . 1.0 108.441 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -65.27 -36.34 83.82 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 107.586 -1.264 . . . . 1.0 107.586 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -73.89 -43.68 33.61 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.389 -1.484 . . . . 1.0 109.389 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -55.73 -30.54 61.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -1.169 . . . . 1.0 109.565 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.56 -36.65 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 1.0 110.009 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 660' ' ' LEU . 1.1 pp -51.2 -25.47 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.114 -0.991 . . . . 1.0 109.513 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.5 t0 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.391 -0.818 . . . . 1.0 109.762 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.291 0.567 . . . . 1.0 110.028 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.72 -23.91 13.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.0 109.722 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -66.22 -44.74 82.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.173 -0.954 . . . . 1.0 108.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -57.88 -35.33 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 1.0 109.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -60.24 -42.76 95.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.297 -0.877 . . . . 1.0 109.025 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.32 -35.78 76.4 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.321 -1.363 . . . . 1.0 107.321 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.487 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 91.0 mtt-85 -73.7 -38.92 64.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.67 -49.63 61.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.932 -1.105 . . . . 1.0 108.58 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 67.2 t -55.24 -31.03 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.55 80.63 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 10.1 m -65.28 -41.77 93.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.403 -0.81 . . . . 1.0 108.924 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.657 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.05 -31.95 65.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 1.0 110.271 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.45 -32.04 58.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.755 -1.216 . . . . 1.0 109.508 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.139 -0.976 . . . . 1.0 110.906 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -51.29 82.14 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.815 -1.178 . . . . 1.0 112.276 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.657 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.8 Cg_exo -66.41 -42.01 10.84 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.569 1.512 . . . . 1.0 112.481 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.65 -44.36 94.04 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.059 -1.026 . . . . 1.0 108.953 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.83 -37.65 64.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -0.797 . . . . 1.0 110.597 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.68 97.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.799 -1.188 . . . . 1.0 109.291 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -65.68 -38.69 89.96 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.16 -0.962 . . . . 1.0 108.99 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -59.67 -45.49 91.9 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -0.892 . . . . 1.0 108.986 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.9 -36.98 75.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 1.0 108.703 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.93 81.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.285 -0.884 . . . . 1.0 109.193 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.8 m -68.57 -43.56 76.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.905 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.539 ' CZ ' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -64.6 -36.32 83.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.098 -1.002 . . . . 1.0 109.038 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.4 mp -61.08 -37.63 83.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 1.0 108.925 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -61.33 -45.6 93.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.927 . . . . 1.0 110.46 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.07 -21.18 75.4 Favored Glycine 0 N--CA 1.495 2.579 0 C-N-CA 119.993 -1.098 . . . . 1.0 110.416 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.1 OUTLIER -111.84 2.6 17.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.876 -1.367 . . . . 1.0 110.15 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.18 -22.42 60.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.109 -0.995 . . . . 1.0 109.458 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 41.5 t -67.73 -46.98 70.62 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.2 mp -101.59 -20.28 15.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.473 -0.767 . . . . 1.0 110.146 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 698' ' ' ASN . 48.8 tp -65.73 -26.87 67.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.836 -1.165 . . . . 1.0 108.613 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.56 -74.27 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.437 -0.79 . . . . 1.0 109.42 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.0 109.763 -179.694 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.85 -40.58 73.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.454 -0.779 . . . . 1.0 109.594 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.47 -42.41 83.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.427 -0.796 . . . . 1.0 110.493 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.649 ' O ' ' OG1' ' A' ' 560' ' ' THR . 76.5 t -69.98 -48.49 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.639 -1.288 . . . . 1.0 107.549 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.66 -40.24 71.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.446 -0.946 . . . . 1.0 108.446 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.94 -35.98 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.448 -0.782 . . . . 1.0 109.62 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.95 -48.54 44.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.927 -1.108 . . . . 1.0 108.78 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.649 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.9 -45.05 95.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.777 -0.577 . . . . 1.0 110.152 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.4 -28.87 69.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.241 -0.912 . . . . 1.0 109.859 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.2 81.59 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.81 . . . . 1.0 109.435 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 62.3 mtm-85 -66.47 -32.13 73.3 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.285 -0.884 . . . . 1.0 109.449 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.59 -41.25 65.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 1.0 109.247 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.76 -36.19 76.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 1.0 110.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -79.14 -43.09 24.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.577 -1.327 . . . . 1.0 108.889 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.41 82.11 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 108.76 -1.736 . . . . 1.0 108.76 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 80.6 t -71.06 -49.04 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.353 -1.086 . . . . 1.0 108.938 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 13.9 m -66.34 -38.54 87.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 1.0 108.71 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.3 m -61.59 -42.57 99.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.685 . . . . 1.0 109.947 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 35.3 p -66.03 -33.51 75.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.179 -0.95 . . . . 1.0 109.718 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.79 -38.76 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.0 109.228 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.68 -38.65 82.12 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.15 -51.56 67.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.649 -0.657 . . . . 1.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -49.15 77.48 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.368 -0.832 . . . . 1.0 109.608 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.0 -36.34 81.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 1.0 109.184 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.7 m-20 -60.0 -39.79 86.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.892 . . . . 1.0 109.15 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.62 -37.79 87.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.383 -0.823 . . . . 1.0 109.353 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 1.0 109.507 -179.725 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.183 0.516 . . . . 1.0 109.72 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.26 -45.43 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -0.973 . . . . 1.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.15 -37.95 78.52 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.474 -0.766 . . . . 1.0 109.104 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.6 tt -74.56 -41.66 60.15 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.46 -0.775 . . . . 1.0 109.106 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -32.02 73.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.531 -0.73 . . . . 1.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.8 57.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.0 109.902 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.67 64.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.0 110.135 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 2.7 p -61.13 -35.73 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.007 . . . . 1.0 109.808 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -69.77 -28.57 65.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 1.0 109.842 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.71 -52.83 33.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 1.0 110.191 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 2.7 p -63.43 -43.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.935 -1.103 . . . . 1.0 109.565 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.724 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 7.2 t-80 -60.49 -47.44 86.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.123 -0.986 . . . . 1.0 108.973 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.22 -40.77 96.23 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 109.144 -1.582 . . . . 1.0 109.144 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.04 77.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -1.125 . . . . 1.0 109.776 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.43 -44.61 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.927 -1.108 . . . . 1.0 108.876 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -36.98 61.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -0.758 . . . . 1.0 109.666 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.25 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.266 -1.012 . . . . 1.0 108.266 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.65 -44.07 82.88 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -45.02 95.78 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.856 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.72 -45.13 60.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.95 -1.094 . . . . 1.0 111.125 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.42 -47.56 83.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.748 -1.22 . . . . 1.0 109.69 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.1 89.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.99 -1.069 . . . . 1.0 109.589 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -38.74 82.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.163 -0.961 . . . . 1.0 109.078 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 625' ' ' SER . 24.2 m -57.78 -42.93 85.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 1.0 108.369 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.75 76.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 1.0 109.794 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.07 -35.53 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.948 . . . . 1.0 109.709 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 622' ' ' SER . 84.8 p . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 1.0 109.618 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 69.1 mt -58.06 -46.25 85.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 1.0 109.43 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -62.91 -45.6 91.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.193 -0.942 . . . . 1.0 108.541 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.94 75.24 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -63.69 -46.02 87.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.447 -0.783 . . . . 1.0 109.178 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.97 -46.54 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 1.0 109.442 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -42.26 98.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.158 -0.964 . . . . 1.0 109.293 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.47 -44.35 97.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 1.0 109.631 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -72.05 -47.01 54.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 1.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.24 -45.17 91.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.409 -0.807 . . . . 1.0 110.003 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.64 -32.04 73.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.112 -0.993 . . . . 1.0 109.024 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.407 ' O ' ' CG2' ' A' ' 649' ' ' VAL . 0.0 OUTLIER -65.57 -39.65 91.9 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.83 -38.92 90.2 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -60.68 -51.23 70.24 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.59 0.709 . . . . 1.0 109.102 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -66.26 -41.72 89.5 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.572 -0.705 . . . . 1.0 109.266 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 645' ' ' LYS . 92.1 t -65.65 -39.17 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 1.0 110.088 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.724 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 6.0 t80 -63.5 -35.48 80.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.949 -1.094 . . . . 1.0 110.037 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.37 -31.8 72.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.048 -1.033 . . . . 1.0 109.725 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.5 m -64.95 -37.9 89.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.13 -0.981 . . . . 1.0 109.266 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 657' ' ' GLY . 5.2 mt -65.79 -37.05 85.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.361 -0.837 . . . . 1.0 109.562 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 658' ' ' GLN . 77.7 t -60.18 -43.27 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.017 . . . . 1.0 109.254 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.06 -46.97 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.031 -1.043 . . . . 1.0 108.423 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.35 -36.81 83.4 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.766 -1.198 . . . . 1.0 107.766 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -75.26 -40.55 33.55 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.0 mm-40 -54.7 -30.03 54.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -1.217 . . . . 1.0 109.223 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.54 -39.54 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 1.0 109.628 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.01 75.45 7.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -0.85 . . . . 1.0 109.411 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 48.5 t0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 1.0 109.515 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.33 0.586 . . . . 1.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.63 -26.11 30.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 1.0 109.554 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.91 -47.13 72.73 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.225 -0.922 . . . . 1.0 108.833 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -56.84 -36.68 70.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.4 -0.812 . . . . 1.0 109.59 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.08 -35.08 80.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.29 -0.881 . . . . 1.0 109.171 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.61 -36.63 79.05 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.063 -1.458 . . . . 1.0 107.063 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.487 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 19.8 mtp-105 -73.65 -37.11 65.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.8 -48.71 58.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.059 . . . . 1.0 108.643 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.58 -30.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 107.763 -1.199 . . . . 1.0 107.763 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.58 -47.69 58.95 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.734 -0.839 . . . . 1.0 108.734 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 16.3 m -67.68 -42.56 81.89 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.246 -0.909 . . . . 1.0 109.107 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.67 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -59.62 -31.22 69.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.885 . . . . 1.0 110.259 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -75.13 -26.96 59.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.887 -1.133 . . . . 1.0 110.003 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.5 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.13 -0.981 . . . . 1.0 111.894 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 1.7 t -63.63 -49.38 77.46 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.772 -1.205 . . . . 1.0 112.515 -178.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.67 ' CD ' ' O ' ' A' ' 681' ' ' SER . 19.0 Cg_endo -64.05 -43.21 16.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.717 1.612 . . . . 1.0 112.456 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -66.24 -37.72 86.19 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -73.12 -32.13 64.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.786 -0.82 . . . . 1.0 108.786 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.04 89.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.288 -0.882 . . . . 1.0 108.699 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -42.01 87.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.445 -0.784 . . . . 1.0 109.138 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.31 -42.08 99.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.842 . . . . 1.0 108.968 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.95 -33.69 73.59 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.242 -1.021 . . . . 1.0 108.242 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.87 72.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 22.5 m -65.83 -39.94 91.3 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.402 -0.812 . . . . 1.0 109.337 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -65.08 -32.9 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.0 108.895 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 702' ' ' LEU . 3.2 mm? -61.24 -38.75 87.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.283 -0.886 . . . . 1.0 109.242 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -66.64 -44.64 81.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.199 -0.938 . . . . 1.0 110.645 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.07 -24.79 65.44 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.765 -1.334 . . . . 1.0 109.765 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.561 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -109.0 1.01 20.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.125 -1.221 . . . . 1.0 109.31 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.36 67.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.336 -0.853 . . . . 1.0 109.555 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -49.11 77.18 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.184 -0.947 . . . . 1.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.2 -13.94 16.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.211 -0.93 . . . . 1.0 111.204 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 695' ' ' LEU . 60.8 tp -66.75 -29.96 70.06 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.757 -1.214 . . . . 1.0 108.716 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.56 -88.11 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.459 -0.776 . . . . 1.0 109.438 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.504 . . . . 1.0 109.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.32 -43.2 74.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 1.0 110.339 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 555' ' ' GLU . 58.2 mp0 -63.09 -42.94 99.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 1.0 110.189 -178.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.8 t -71.45 -36.09 59.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.817 -1.179 . . . . 1.0 107.817 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.54 72.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.674 -0.641 . . . . 1.0 110.684 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.8 m -69.65 -34.57 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.398 -1.439 . . . . 1.0 108.382 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -72.14 -51.26 22.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 1.0 108.845 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -59.98 -49.31 78.19 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.395 -0.816 . . . . 1.0 110.127 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.2 78.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.856 -1.152 . . . . 1.0 109.428 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 1.0 109.751 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -62.14 -31.75 72.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.099 -1.0 . . . . 1.0 109.492 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.489 ' N ' HD13 ' A' ' 564' ' ' LEU . 3.2 mp -67.09 -40.74 87.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.465 -0.772 . . . . 1.0 109.858 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.71 -32.02 73.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.362 -0.836 . . . . 1.0 109.594 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -77.87 -51.19 10.85 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.189 -0.944 . . . . 1.0 108.634 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -64.49 -33.88 88.42 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.212 -1.155 . . . . 1.0 110.212 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.36 -48.66 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.903 -1.351 . . . . 1.0 108.808 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.91 -38.64 86.6 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.79 -0.818 . . . . 1.0 108.79 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 m -61.85 -43.49 98.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.51 -0.744 . . . . 1.0 109.865 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 77.8 p -65.87 -35.57 81.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 1.0 109.721 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.4 -36.83 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.166 -0.958 . . . . 1.0 109.224 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.44 -38.12 79.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.134 -0.979 . . . . 1.0 108.561 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -55.78 -51.63 66.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.572 -0.705 . . . . 1.0 109.585 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.68 -49.67 76.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.365 -0.834 . . . . 1.0 109.371 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.49 -36.02 82.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.515 -0.741 . . . . 1.0 109.645 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 573' ' ' ALA . 54.2 t0 -72.76 -37.31 67.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.133 -0.979 . . . . 1.0 109.087 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 8.6 tp -69.82 -44.28 70.31 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 1.0 109.342 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.0 109.438 -179.866 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.112 0.482 . . . . 1.0 109.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 601' ' ' ASP . 18.0 pt20 -56.66 -42.05 78.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.253 -0.904 . . . . 1.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 600' ' ' GLN . 48.3 t0 -61.96 -39.24 91.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.326 -0.859 . . . . 1.0 109.575 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 42.8 tp -67.05 -42.04 85.47 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.287 -0.883 . . . . 1.0 109.612 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -71.0 -31.49 68.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0 109.534 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.93 -46.43 52.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 1.0 110.025 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.76 81.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.987 . . . . 1.0 110.089 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.61 -36.4 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.066 -1.021 . . . . 1.0 109.542 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.32 -34.19 70.33 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.0 109.591 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.8 -45.21 71.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.0 109.866 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -61.71 -41.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.0 109.149 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.612 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.2 m80 -64.01 -41.83 97.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 1.0 109.123 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.71 97.78 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.893 -1.283 . . . . 1.0 109.893 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.76 70.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.978 -1.307 . . . . 1.0 109.617 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 86.3 t -70.81 -47.16 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 1.0 108.836 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -54.7 -34.5 62.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.211 -0.93 . . . . 1.0 108.679 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -29.44 67.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.154 -0.966 . . . . 1.0 108.807 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 16.1 tp -71.39 -43.94 65.9 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -34.43 75.62 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.177 -1.046 . . . . 1.0 108.177 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.52 -44.21 62.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.621 -0.675 . . . . 1.0 109.937 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -62.77 -46.48 87.82 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.862 -1.149 . . . . 1.0 108.205 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.55 89.69 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.55 -46.54 87.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.685 -0.634 . . . . 1.0 109.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.8 t -58.78 -39.47 81.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.9 . . . . 1.0 109.095 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.93 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.455 -0.778 . . . . 1.0 109.716 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 84.2 t -66.22 -42.85 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 1.0 109.616 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.685 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 635' ' ' LEU . 10.1 mp -58.49 -45.5 88.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -63.24 -43.02 99.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.092 -1.005 . . . . 1.0 108.35 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.81 78.07 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.76 -0.83 . . . . 1.0 108.76 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -44.47 92.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.467 -0.771 . . . . 1.0 109.109 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 62.1 tp -59.27 -46.99 87.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.0 109.709 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 13.5 t -61.91 -46.92 87.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.206 -0.934 . . . . 1.0 109.994 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -61.5 -47.2 86.7 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.448 -0.782 . . . . 1.0 110.335 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.58 -43.25 66.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.054 -1.029 . . . . 1.0 109.929 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.18 -43.35 78.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.244 -0.91 . . . . 1.0 109.777 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 1.0 108.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.0 -40.19 95.81 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 107.914 -1.143 . . . . 1.0 107.914 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.74 -38.14 86.04 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.193 -1.039 . . . . 1.0 108.193 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.59 -50.76 72.23 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.915 -0.772 . . . . 1.0 108.915 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.41 -41.85 88.67 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.158 -0.617 . . . . 1.0 109.401 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.44 -41.62 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 1.0 110.282 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.612 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 19.8 t80 -58.47 -36.61 73.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.936 -1.103 . . . . 1.0 109.736 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.98 -32.82 71.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 1.0 109.133 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 63.7 m -65.91 -37.02 84.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.198 -0.939 . . . . 1.0 109.126 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.61 -34.59 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 1.0 109.432 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 75.2 t -59.17 -42.7 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 1.0 109.647 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.76 -43.16 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.039 -1.038 . . . . 1.0 108.528 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -63.85 -37.11 86.16 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.551 -1.277 . . . . 1.0 107.551 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -75.56 -41.86 28.52 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.501 -1.44 . . . . 1.0 109.501 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 5.7 mm-40 -55.06 -22.1 14.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.178 -1.189 . . . . 1.0 109.597 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.53 -31.65 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 1.0 110.027 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 95.3 mt -53.27 -34.8 58.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.1 -1.0 . . . . 1.0 109.608 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 1.0 109.731 179.889 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.316 0.579 . . . . 1.0 109.78 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.88 -25.54 43.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 1.0 109.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.0 -47.62 83.96 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.33 -0.856 . . . . 1.0 109.178 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.21 -32.89 64.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.305 -0.872 . . . . 1.0 109.67 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.73 -39.4 93.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 1.0 109.255 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.36 -36.02 74.97 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.251 -1.389 . . . . 1.0 107.251 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -71.07 -41.39 70.78 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.815 -0.553 . . . . 1.0 109.569 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.67 -48.29 55.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.972 -1.08 . . . . 1.0 109.035 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.6 -32.18 36.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 682' ' ' ARG . . . -71.1 -31.82 68.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -41.93 25.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.314 -0.866 . . . . 1.0 109.391 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.666 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -56.42 -35.15 67.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.27 -0.893 . . . . 1.0 110.492 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 679' ' ' ALA . 1.9 ptt180 -78.82 -29.03 44.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.743 -1.223 . . . . 1.0 110.224 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.75 64.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.053 -1.029 . . . . 1.0 111.35 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.412 ' N ' ' CD ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -65.81 -48.66 62.27 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.024 -1.048 . . . . 1.0 112.406 -177.079 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.666 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.2 Cg_exo -68.32 -43.38 4.47 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 121.89 1.727 . . . . 1.0 112.872 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 690' ' ' GLN . 0.4 OUTLIER -61.46 -37.18 82.65 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.891 -1.131 . . . . 1.0 108.199 179.644 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.54 -30.89 61.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.666 -0.646 . . . . 1.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.16 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.14 -0.975 . . . . 1.0 108.503 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -65.1 -38.03 89.41 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 686' ' ' GLU . 70.4 mt-30 -60.11 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.687 -0.857 . . . . 1.0 108.687 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.99 -35.29 72.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.04 85.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.644 -0.66 . . . . 1.0 109.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 36.8 t -71.53 -43.69 65.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.981 . . . . 1.0 110.072 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.582 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -69.09 -37.02 78.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 1.0 108.79 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 699' ' ' ALA . 3.0 tp -65.68 -36.19 82.93 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.829 -1.175 . . . . 1.0 107.829 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.01 -38.06 72.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.53 -0.731 . . . . 1.0 109.367 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.07 -25.05 65.75 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.869 -1.692 . . . . 1.0 108.869 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.582 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.69 0.57 10.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -1.049 . . . . 1.0 109.521 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.23 -37.68 48.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 1.0 109.401 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 34.0 m -51.98 -35.6 46.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.259 -0.901 . . . . 1.0 109.777 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 8.5 mp -90.07 -38.61 13.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -0.979 . . . . 1.0 110.607 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 78.6 mt -52.21 -32.95 38.91 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.028 -1.101 . . . . 1.0 108.028 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -117.12 -72.82 0.67 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 1.0 109.847 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.19 -45.28 83.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.57 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.3 mt-10 -66.13 -46.83 76.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 1.0 110.295 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.507 ' O ' ' OG1' ' A' ' 560' ' ' THR . 78.2 t -67.33 -49.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.751 -1.218 . . . . 1.0 108.546 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.57 66.73 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.604 -0.685 . . . . 1.0 110.413 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.59 -45.11 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.634 -1.291 . . . . 1.0 108.81 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.5 OUTLIER -73.54 -46.74 45.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.464 -0.773 . . . . 1.0 110.366 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.67 -41.27 88.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.953 -1.092 . . . . 1.0 110.691 -178.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.64 -31.96 72.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.583 -1.323 . . . . 1.0 108.188 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.627 -0.67 . . . . 1.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -66.14 -33.94 76.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 1.0 109.238 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' ' 564' ' ' LEU . 2.3 mp -64.7 -42.15 95.5 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 1.0 109.8 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.9 -33.28 73.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.353 -0.842 . . . . 1.0 110.68 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.426 ' O ' ' OG1' ' A' ' 570' ' ' THR . 98.4 mt-30 -78.77 -45.39 21.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.84 -1.163 . . . . 1.0 108.415 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.4 83.25 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.441 -1.463 . . . . 1.0 109.441 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 64.3 t -71.15 -48.52 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.304 . . . . 1.0 108.537 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 85.4 p -66.21 -37.02 84.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.166 -0.959 . . . . 1.0 108.754 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 61.7 m -62.79 -42.57 99.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.611 -0.681 . . . . 1.0 110.315 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 18.1 p -68.0 -36.88 80.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.103 -0.998 . . . . 1.0 110.519 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.3 -35.83 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.948 -1.095 . . . . 1.0 109.36 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.67 -38.88 82.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.097 -1.002 . . . . 1.0 108.543 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -58.24 -49.76 75.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.647 -0.658 . . . . 1.0 109.762 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.04 -49.22 77.64 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.274 -0.891 . . . . 1.0 109.334 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.97 -41.57 70.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.446 -0.784 . . . . 1.0 109.336 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.8 m-20 -59.92 -43.32 94.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.301 -0.874 . . . . 1.0 109.055 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.39 -41.13 94.02 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 1.0 109.458 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.0 109.652 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.209 0.528 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -56.06 -37.17 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 1.0 109.334 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.54 -38.74 91.21 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.295 -0.878 . . . . 1.0 109.216 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 29.6 tp -69.55 -43.43 72.97 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.32 -0.862 . . . . 1.0 108.934 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -61.85 -33.75 74.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.463 -0.773 . . . . 1.0 109.457 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.56 73.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.28 73.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 1.0 110.22 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.35 -36.38 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 1.0 109.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.93 76.9 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.91 . . . . 1.0 109.424 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.04 72.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.0 110.049 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -61.19 -42.36 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.0 109.845 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.564 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 24.1 m-70 -60.34 -40.5 90.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.938 -1.101 . . . . 1.0 109.074 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.85 -45.92 40.45 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 110.142 -1.183 . . . . 1.0 110.142 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.63 -39.47 77.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.333 . . . . 1.0 109.732 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.571 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 1.9 p -66.14 -45.51 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.074 -1.016 . . . . 1.0 109.117 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.571 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 12.2 m80 -53.35 -33.67 54.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 1.0 108.792 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 77.0 mm-40 -62.11 -32.32 72.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -43.54 81.2 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.357 -0.979 . . . . 1.0 108.357 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.91 76.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.44 -42.09 72.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.004 . . . . 1.0 109.788 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.405 ' CD2' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -66.47 -44.77 81.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.764 -1.21 . . . . 1.0 108.312 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.221 -1.4 . . . . 1.0 107.221 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -69.41 -45.58 68.86 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.078 -1.082 . . . . 1.0 108.078 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.0 t -58.03 -46.59 85.09 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.74 85.06 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.774 -0.578 . . . . 1.0 110.192 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.47 -39.15 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.176 -0.952 . . . . 1.0 109.576 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.07 . . . . 1.0 109.077 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.6 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.16 -49.21 76.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.236 -0.915 . . . . 1.0 109.137 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 640' ' ' SER . 82.7 m-70 -63.6 -41.43 98.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 1.0 108.752 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.35 -49.66 76.98 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.372 -0.83 . . . . 1.0 108.835 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.63 92.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.445 -0.784 . . . . 1.0 109.156 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.8 -47.37 69.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 1.0 109.804 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 636' ' ' HIS . 20.5 t -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.369 -0.832 . . . . 1.0 110.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -59.87 -46.27 89.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.121 -0.987 . . . . 1.0 110.196 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -72.7 -41.2 65.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.027 -1.046 . . . . 1.0 110.434 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.48 -45.62 88.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.0 109.97 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -32.31 72.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.0 110.519 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -32.05 73.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.775 -1.203 . . . . 1.0 108.059 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.472 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 43.7 mmm -68.57 -38.6 80.84 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.485 -0.931 . . . . 1.0 108.485 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -59.77 -49.6 77.08 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.88 -41.77 82.25 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.12 -0.632 . . . . 1.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.68 -40.36 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 1.0 109.876 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.3 m-85 -58.5 -43.17 88.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 1.0 109.831 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -69.93 -36.11 75.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.032 -1.042 . . . . 1.0 109.115 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 30.5 m -57.4 -41.1 79.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.885 . . . . 1.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.73 -36.4 83.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 1.0 109.706 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.23 -43.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.347 -0.846 . . . . 1.0 109.508 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.33 -46.23 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.047 -1.033 . . . . 1.0 108.409 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -58.73 -38.15 77.75 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.759 -1.201 . . . . 1.0 107.759 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.41 -49.11 12.35 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.378 -1.489 . . . . 1.0 109.378 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -55.92 -28.11 55.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.129 -1.218 . . . . 1.0 109.476 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.53 -36.43 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 1.0 109.687 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.91 -38.09 67.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.84 . . . . 1.0 109.502 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 12.0 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.3 0.571 . . . . 1.0 110.006 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 66.9 mt -54.69 -24.77 23.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.366 -0.834 . . . . 1.0 109.693 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . 0.551 ' H ' ' HG1' ' A' ' 670' ' ' THR . 89.1 m-20 -65.87 -46.72 77.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.203 -0.936 . . . . 1.0 109.083 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.06 -38.87 73.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.373 -0.829 . . . . 1.0 109.629 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.49 -35.65 74.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 1.0 109.357 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.99 -34.92 73.97 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 35.9 ttm180 -71.65 -43.84 65.37 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.71 -47.58 59.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.952 -1.092 . . . . 1.0 108.798 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.02 -31.65 37.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.681 -1.229 . . . . 1.0 107.681 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.48 -47.52 48.0 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.518 -0.919 . . . . 1.0 108.518 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 26.7 m -66.08 -41.59 90.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 1.0 108.923 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.578 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.4 t -56.78 -32.88 66.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 1.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -72.11 -25.32 61.69 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.99 -1.069 . . . . 1.0 109.039 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.825 . . . . 1.0 111.394 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -51.32 72.63 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.776 -1.202 . . . . 1.0 112.296 -177.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.578 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_exo -60.01 -44.28 30.86 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.98 1.787 . . . . 1.0 112.706 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.32 -40.54 93.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.031 -1.043 . . . . 1.0 108.454 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.38 -35.66 65.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.571 -0.706 . . . . 1.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.52 98.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.002 -1.061 . . . . 1.0 109.312 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -65.76 -41.89 91.54 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.17 -0.956 . . . . 1.0 109.427 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.26 -45.14 85.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.309 -0.869 . . . . 1.0 110.007 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.8 tp -59.32 -33.42 71.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.0 -1.062 . . . . 1.0 109.094 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.3 74.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.097 -1.075 . . . . 1.0 108.097 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 15.2 m -66.0 -41.09 91.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.543 -0.723 . . . . 1.0 109.503 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.07 -37.22 86.65 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.174 -0.954 . . . . 1.0 108.639 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.1 mp -60.01 -35.92 76.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 118.731 -1.187 . . . . 1.0 109.762 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.465 ' C ' ' CD2' ' A' ' 696' ' ' HIS . 4.4 t60 -66.84 -37.66 84.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.974 -1.079 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.7 -16.2 71.85 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 106.404 -2.678 . . . . 1.0 106.404 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.684 ' N ' HD21 ' A' ' 698' ' ' ASN . 0.8 OUTLIER -111.58 -1.66 15.71 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.747 0.784 . . . . 1.0 110.262 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.33 -22.12 17.83 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.735 0.779 . . . . 1.0 112.302 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.8 t -83.63 -42.27 16.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 106.609 -1.626 . . . . 1.0 106.609 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 7.3 mp -98.44 -18.6 18.16 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.4 -1.438 . . . . 1.0 109.434 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 698' ' ' ASN . 47.8 tp -66.24 -32.14 73.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 1.0 111.504 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -118.69 -66.77 1.04 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.904 -1.123 . . . . 1.0 110.442 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 108.235 -1.024 . . . . 1.0 108.235 -179.238 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.409 ' H ' HD11 ' A' ' 554' ' ' LEU . 3.5 mp -56.07 -42.58 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.345 -0.847 . . . . 1.0 110.055 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 1.0 110.068 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 65.7 t -69.8 -44.41 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.819 -1.175 . . . . 1.0 108.18 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -60.49 -41.24 93.87 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.44 -0.787 . . . . 1.0 109.47 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -39.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 1.0 109.161 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' A' ' 563' ' ' ARG . 3.7 tt0 -72.13 -50.47 27.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.0 110.146 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.521 ' OG1' ' CE2' ' A' ' 619' ' ' PHE . 1.6 t -60.86 -42.53 98.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 1.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 560' ' ' THR . 5.0 tp -71.22 -39.68 71.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.856 -1.152 . . . . 1.0 109.113 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.83 93.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.369 -0.832 . . . . 1.0 109.234 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.513 ' NH2' ' OE2' ' A' ' 559' ' ' GLU . 95.8 mtt180 -61.32 -35.44 77.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.26 -0.9 . . . . 1.0 109.119 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 616' ' ' LEU . 5.6 mp -71.67 -41.55 68.58 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.442 -0.786 . . . . 1.0 109.474 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.41 -31.52 70.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 1.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.443 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.5 mt-30 -78.83 -47.17 17.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.045 -1.034 . . . . 1.0 108.433 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.55 -33.4 86.39 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.666 -1.374 . . . . 1.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.02 -47.88 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.263 . . . . 1.0 108.973 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 82.1 p -66.02 -37.66 86.45 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.14 -0.975 . . . . 1.0 108.489 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 88.2 m -62.46 -42.32 99.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.687 -0.633 . . . . 1.0 110.14 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.4 p -67.91 -34.09 75.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.0 110.753 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.428 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 53.3 t -72.98 -35.54 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.618 -1.301 . . . . 1.0 109.17 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.6 83.64 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.015 -1.106 . . . . 1.0 108.015 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 574' ' ' HIS . 12.5 t60 -57.17 -50.61 72.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 1.0 109.288 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.52 -48.25 79.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.913 . . . . 1.0 109.339 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.5 -39.08 88.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 1.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.6 -40.7 97.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 1.0 109.511 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.4 tp -64.83 -36.25 83.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.321 -0.862 . . . . 1.0 109.545 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 1.0 109.554 -179.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 73.1 t . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.077 0.465 . . . . 1.0 110.051 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.78 -41.45 86.69 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 1.0 109.452 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -63.15 -47.27 83.4 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.271 -0.893 . . . . 1.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -43.68 59.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.363 -0.836 . . . . 1.0 109.25 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -59.25 -34.2 71.94 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 1.0 109.533 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.95 70.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 1.0 110.098 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.88 -47.52 65.67 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.141 -0.974 . . . . 1.0 110.308 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 2.5 m -70.12 -35.87 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.819 -1.176 . . . . 1.0 109.32 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -66.61 -39.91 88.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 1.0 109.048 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.57 29.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 1.0 110.412 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 2.4 p -62.43 -41.6 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.989 -1.07 . . . . 1.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.524 ' O ' HG11 ' A' ' 613' ' ' VAL . 61.2 t60 -67.39 -31.94 72.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 1.0 109.971 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.7 -45.32 45.17 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.937 -1.265 . . . . 1.0 109.937 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.38 -39.12 74.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.337 . . . . 1.0 109.52 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 1.3 p -63.47 -44.09 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 1.0 108.998 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.57 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 0.7 OUTLIER -52.79 -29.62 28.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.211 -0.93 . . . . 1.0 108.569 177.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 59.3 mm-40 -64.12 -28.12 69.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 1.0 109.091 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 564' ' ' LEU . 6.1 tp -66.4 -38.78 88.27 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.594 -1.261 . . . . 1.0 107.594 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.66 -46.9 87.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.948 -1.13 . . . . 1.0 107.948 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.44 -45.71 58.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 1.0 109.441 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . 0.521 ' CE2' ' OG1' ' A' ' 560' ' ' THR . 3.2 m-85 -63.99 -46.74 83.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.203 -0.936 . . . . 1.0 108.632 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.71 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.3 -39.9 94.5 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.574 -0.704 . . . . 1.0 109.747 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.8 p -57.5 -41.17 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 1.0 108.894 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.85 96.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 1.0 109.675 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.71 -41.55 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.933 . . . . 1.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 1.0 109.594 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.145 0.497 . . . . 1.0 109.729 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.43 -40.51 78.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.907 . . . . 1.0 109.423 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -63.52 -44.95 92.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.076 -1.015 . . . . 1.0 108.57 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.06 78.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.416 -0.803 . . . . 1.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -38.25 79.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.377 -0.827 . . . . 1.0 109.601 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.12 -47.16 86.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 1.0 109.398 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.3 p -60.63 -41.88 95.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.0 109.382 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -64.22 -45.3 88.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 1.0 110.08 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.478 ' NE2' ' HZ3' ' A' ' 645' ' ' LYS . 99.5 mm-40 -73.59 -28.8 62.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.128 -0.982 . . . . 1.0 109.993 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.21 -50.68 59.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.862 . . . . 1.0 110.079 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -62.46 -39.0 91.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.0 109.6 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.478 ' HZ3' ' NE2' ' A' ' 642' ' ' GLN . 7.2 ttpm? -64.9 -31.99 73.48 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.778 -1.193 . . . . 1.0 107.778 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 6.1 tpt -68.43 -36.69 79.42 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -67.42 -50.79 57.9 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.604 0.716 . . . . 1.0 109.126 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -58.44 -41.17 84.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.0 -36.54 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.796 . . . . 1.0 110.18 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.417 ' HD1' ' N ' ' A' ' 650' ' ' TYR . 3.4 m-30 -62.46 -35.97 80.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.07 -1.019 . . . . 1.0 109.996 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.68 -35.17 78.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.94 -1.1 . . . . 1.0 109.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 57.7 m -59.69 -38.84 82.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -0.949 . . . . 1.0 109.395 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.54 -37.59 82.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.89 . . . . 1.0 109.684 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 658' ' ' GLN . 87.2 t -61.26 -43.54 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.122 -0.986 . . . . 1.0 109.425 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.35 -46.94 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.107 -0.996 . . . . 1.0 108.442 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -58.11 -40.17 80.53 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.84 -41.01 43.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 654' ' ' VAL . 4.9 mm-40 -54.94 -21.02 10.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.236 . . . . 1.0 109.603 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.62 -35.9 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.151 -0.968 . . . . 1.0 109.743 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.26 -33.32 63.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 1.0 109.308 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 60.6 t0 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 1.0 109.565 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' THR . . . . . 0.581 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 8.4 p . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.297 0.57 . . . . 1.0 109.675 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.39 -23.98 17.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 1.0 109.651 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . 0.581 ' H ' ' HG1' ' A' ' 670' ' ' THR . 55.4 t0 -70.26 -45.1 67.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.179 -0.95 . . . . 1.0 109.186 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.53 -37.39 75.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.287 -0.883 . . . . 1.0 109.455 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.02 -35.68 81.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 1.0 109.449 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -57.93 -34.82 70.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.44 -1.319 . . . . 1.0 107.44 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -73.51 -39.72 64.6 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.76 -0.587 . . . . 1.0 109.6 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.07 -49.56 43.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.946 -1.096 . . . . 1.0 108.936 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.24 -31.06 31.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 107.837 -1.171 . . . . 1.0 107.837 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.43 76.79 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 681' ' ' SER . 0.1 OUTLIER -66.51 -39.92 88.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 1.0 109.373 179.591 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.636 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 4.4 t -56.03 -33.44 64.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.268 -0.895 . . . . 1.0 110.437 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -75.86 -29.42 58.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.758 -1.214 . . . . 1.0 109.878 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.02 -46.42 62.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 1.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.402 ' N ' ' CD ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -59.04 -49.75 91.56 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 121.031 -1.043 . . . . 1.0 112.197 -176.006 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.636 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.4 Cg_exo -65.14 -41.89 15.34 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.907 1.738 . . . . 1.0 112.887 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -67.24 -42.46 83.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.959 -1.088 . . . . 1.0 108.589 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.58 -35.27 63.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 1.0 109.252 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.63 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 1.0 108.815 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -67.41 -40.73 85.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.462 -0.774 . . . . 1.0 109.522 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.85 -44.85 88.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 1.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.41 -32.44 70.18 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.232 -0.917 . . . . 1.0 108.715 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -63.66 -32.62 74.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.0 108.776 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.3 m -66.12 -37.99 87.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.339 -0.851 . . . . 1.0 109.211 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.497 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -63.62 -40.65 97.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 109.002 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -62.1 -37.73 86.2 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.211 -0.931 . . . . 1.0 108.921 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 38.1 m80 -68.61 -44.77 73.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.432 -0.793 . . . . 1.0 110.365 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.64 -28.03 44.43 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 1.2 p30 -126.46 11.8 7.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.067 -1.255 . . . . 1.0 109.992 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.75 -32.46 63.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.072 -1.018 . . . . 1.0 109.243 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.0 p -52.56 -35.39 53.69 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.277 -0.89 . . . . 1.0 109.241 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 4.4 mp -88.39 -40.22 13.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.231 -0.918 . . . . 1.0 110.055 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 54.1 mt -56.5 -33.53 66.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.968 -1.082 . . . . 1.0 108.367 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.9 m-85 -125.15 -71.83 0.69 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.399 -0.813 . . . . 1.0 109.48 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 30.2 ttm-85 . . . . . 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.941 . . . . 1.0 109.348 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 554' ' ' LEU . 2.9 tm? -54.85 -42.95 72.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.746 . . . . 1.0 109.961 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.41 -35.24 73.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 1.0 110.288 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.542 ' O ' ' OG1' ' A' ' 560' ' ' THR . 80.4 t -76.02 -39.0 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.667 -1.271 . . . . 1.0 107.815 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.87 79.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.956 -0.757 . . . . 1.0 108.956 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 24.9 m -71.09 -36.62 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 1.0 108.828 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.59 -51.86 17.92 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 1.0 109.984 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.11 -44.74 83.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.922 -1.111 . . . . 1.0 110.067 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' A' ' 565' ' ' GLN . 1.0 OUTLIER -59.74 -40.47 88.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.021 -1.049 . . . . 1.0 109.406 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.81 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.29 -0.881 . . . . 1.0 109.855 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -35.95 81.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 1.0 109.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.23 -41.14 77.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.0 110.052 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . 0.515 HE22 ' CD1' ' A' ' 616' ' ' LEU . 3.7 mp0 -61.39 -33.21 73.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 1.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.448 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.8 mt-30 -78.17 -46.15 21.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.173 -0.954 . . . . 1.0 108.648 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . 0.406 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -65.0 -32.99 86.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.67 -1.372 . . . . 1.0 109.67 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.33 -49.29 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.043 -1.269 . . . . 1.0 108.862 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 30.0 m -67.15 -38.41 85.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.185 -0.947 . . . . 1.0 108.866 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 84.2 m -63.36 -43.77 96.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.461 -0.774 . . . . 1.0 109.739 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 75.4 p -67.47 -32.68 73.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 1.0 109.886 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.07 -37.7 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.252 -0.905 . . . . 1.0 109.566 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.68 82.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.092 -1.005 . . . . 1.0 108.671 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.51 -45.18 94.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.712 -0.618 . . . . 1.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.84 -44.54 74.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.337 -0.852 . . . . 1.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -41.42 65.73 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.378 -0.826 . . . . 1.0 109.196 178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -59.33 -41.52 89.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 1.0 109.215 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 1.0 109.412 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.932 . . . . 1.0 109.53 -179.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.23 0.538 . . . . 1.0 109.643 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -56.51 -43.38 79.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.92 . . . . 1.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.81 -42.51 99.75 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.376 -0.827 . . . . 1.0 109.148 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 31.6 tp -70.25 -42.27 72.4 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.401 -0.812 . . . . 1.0 109.045 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.84 -35.39 78.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.338 -0.851 . . . . 1.0 109.831 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.95 75.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 110.019 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.61 87.25 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.902 . . . . 1.0 110.168 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.97 -38.25 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.106 -0.996 . . . . 1.0 109.632 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.49 -35.39 72.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.253 -0.904 . . . . 1.0 109.555 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.08 84.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.937 . . . . 1.0 109.691 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 86.6 t -63.02 -44.23 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.071 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.697 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 19.9 m80 -63.43 -37.04 85.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.353 -0.842 . . . . 1.0 109.963 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.98 98.63 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.2 84.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.843 -1.387 . . . . 1.0 109.42 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.586 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 68.8 t -65.59 -46.2 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 1.0 109.382 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -53.72 -36.24 62.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.344 -0.848 . . . . 1.0 109.205 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.39 -35.5 77.67 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . 0.515 ' CD1' HE22 ' A' ' 565' ' ' GLN . 55.0 tp -67.52 -41.04 85.02 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.48 -1.304 . . . . 1.0 107.48 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.47 98.4 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.923 -1.14 . . . . 1.0 107.923 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.73 -45.7 57.38 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.344 -0.848 . . . . 1.0 109.714 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.49 -48.0 79.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.161 -0.962 . . . . 1.0 108.864 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.41 91.87 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.236 -0.915 . . . . 1.0 108.628 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -42.45 89.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.533 -0.73 . . . . 1.0 109.706 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.7 p -58.18 -37.37 74.61 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.191 -0.943 . . . . 1.0 108.507 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.91 77.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 1.0 109.531 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 625' ' ' SER . 54.8 t -54.86 -48.26 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.274 -0.891 . . . . 1.0 109.68 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 624' ' ' VAL . 3.0 m . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.133 -0.979 . . . . 1.0 109.265 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.81 -45.3 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.0 109.496 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . 0.49 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 19.8 t60 -62.94 -42.4 99.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.01 77.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.719 -0.845 . . . . 1.0 108.719 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -44.9 90.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.377 -0.827 . . . . 1.0 109.311 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.18 -46.61 89.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.0 109.623 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' SER . . . . . 0.49 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 18.6 m -57.48 -39.63 76.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 1.0 109.477 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -59.95 -45.6 92.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.838 . . . . 1.0 110.346 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 26.5 mt-30 -74.87 -31.31 61.57 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.877 -1.139 . . . . 1.0 110.416 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.31 -51.16 47.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.006 -1.059 . . . . 1.0 110.054 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -63.67 -36.0 82.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.011 -1.055 . . . . 1.0 109.008 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -64.06 -36.32 83.63 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.896 -1.15 . . . . 1.0 107.896 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 33.8 tpp -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.174 -1.046 . . . . 1.0 108.174 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.16 -52.03 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.57 0.7 . . . . 1.0 109.154 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.65 -42.87 90.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.506 -0.746 . . . . 1.0 109.155 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 652' ' ' THR . 13.0 t -64.05 -45.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.378 -0.826 . . . . 1.0 109.965 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.697 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 22.3 t80 -70.31 -37.3 74.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.078 -1.014 . . . . 1.0 110.132 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -68.91 -32.62 72.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.832 -1.168 . . . . 1.0 109.403 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 649' ' ' VAL . 24.6 p -65.28 -34.82 79.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.06 -1.025 . . . . 1.0 108.793 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 657' ' ' GLY . 6.0 mt -69.11 -36.69 77.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.511 -0.743 . . . . 1.0 109.362 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.63 -44.3 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.976 . . . . 1.0 109.27 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.54 -46.14 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -34.77 78.34 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 107.858 -1.164 . . . . 1.0 107.858 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.66 -49.4 18.61 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -56.86 -27.6 60.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.139 -1.212 . . . . 1.0 109.519 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.93 -39.84 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.948 . . . . 1.0 109.688 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 660' ' ' LEU . 1.1 pp -50.61 -23.5 2.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 1.0 109.393 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 57.4 t0 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.437 179.804 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 672' ' ' ASP . 76.9 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.28 -29.86 61.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.258 -0.901 . . . . 1.0 109.273 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 20.2 p-10 -66.6 -47.05 73.93 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.377 -0.827 . . . . 1.0 109.056 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . 0.553 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 1.6 m-20 -58.3 -31.62 67.68 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.463 -0.773 . . . . 1.0 109.46 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.47 -38.0 89.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.319 -0.863 . . . . 1.0 109.238 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -62.91 -35.35 79.78 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.157 -1.423 . . . . 1.0 107.157 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -72.59 -39.88 67.01 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.12 -45.8 66.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.0 108.323 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.36 -31.63 38.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.79 -1.189 . . . . 1.0 107.79 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.21 63.61 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.885 -0.784 . . . . 1.0 108.885 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.9 m -64.69 -37.24 86.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.856 . . . . 1.0 109.516 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.628 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 18.2 t -57.3 -35.78 70.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.359 -0.838 . . . . 1.0 111.464 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -76.81 -26.9 54.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.354 -1.466 . . . . 1.0 110.464 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.42 54.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.075 -1.016 . . . . 1.0 111.651 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.3 OUTLIER -62.15 -44.11 88.01 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 120.415 -1.428 . . . . 1.0 112.508 -177.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.628 ' CD ' ' O ' ' A' ' 681' ' ' SER . 27.9 Cg_endo -62.46 -42.29 28.18 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.236 1.291 . . . . 1.0 112.1 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -38.23 84.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.319 -0.863 . . . . 1.0 109.146 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.93 -31.97 63.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.201 -0.937 . . . . 1.0 108.809 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.25 95.81 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.445 -0.785 . . . . 1.0 109.963 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -72.56 -42.79 64.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.0 109.922 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.33 -35.61 74.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 1.0 108.434 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.07 79.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.381 -0.824 . . . . 1.0 108.874 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.1 m -65.93 -39.03 90.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.172 -0.955 . . . . 1.0 109.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.9 -38.01 87.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.0 108.812 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.9 mp -60.65 -37.08 80.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.189 -1.041 . . . . 1.0 108.189 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -48.71 70.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.559 -0.713 . . . . 1.0 110.145 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.13 57.92 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.49 7.6 13.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.944 -1.327 . . . . 1.0 109.602 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.5 -30.22 29.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.144 -0.972 . . . . 1.0 109.364 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 83.3 p -58.35 -39.41 79.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.0 109.582 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 -43.58 11.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.938 . . . . 1.0 110.313 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.08 -33.91 58.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.002 -1.061 . . . . 1.0 108.434 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.38 -101.71 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 1.0 109.414 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.451 -0.781 . . . . 1.0 110.124 -179.559 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.75 -34.9 70.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.525 -0.734 . . . . 1.0 110.423 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.57 -40.4 92.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 1.0 110.448 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.51 ' O ' ' OG1' ' A' ' 560' ' ' THR . 90.2 t -73.37 -41.77 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.475 -1.391 . . . . 1.0 107.777 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.73 91.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.371 -0.831 . . . . 1.0 109.497 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -33.78 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.29 -0.881 . . . . 1.0 110.442 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.73 -50.99 15.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.82 -1.175 . . . . 1.0 110.063 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.16 -41.76 99.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.428 -0.795 . . . . 1.0 109.669 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.56 -40.35 94.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.216 -0.928 . . . . 1.0 109.476 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.11 -34.29 68.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.505 -0.747 . . . . 1.0 109.917 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.58 -39.31 93.5 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.121 -0.987 . . . . 1.0 108.61 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 568' ' ' VAL . 10.0 mp -61.75 -44.02 97.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.68 -0.638 . . . . 1.0 110.067 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -61.2 -35.37 76.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.315 -0.865 . . . . 1.0 109.746 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.65 -49.39 13.28 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.202 -0.937 . . . . 1.0 108.653 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.36 85.13 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 564' ' ' LEU . 85.2 t -72.78 -49.56 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.987 -1.302 . . . . 1.0 108.733 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.1 p -66.76 -38.48 86.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -0.969 . . . . 1.0 109.059 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 89.0 m -62.01 -41.22 97.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.423 -0.798 . . . . 1.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 61.6 p -66.81 -33.12 74.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.134 -0.979 . . . . 1.0 109.688 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.69 -38.04 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.87 90.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 1.0 109.245 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -58.51 -50.75 72.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.232 -0.918 . . . . 1.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.87 -48.07 76.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.256 -0.903 . . . . 1.0 109.754 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.96 -38.97 72.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 1.0 109.397 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.48 -39.1 89.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 1.0 109.093 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.4 -37.99 74.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.806 . . . . 1.0 109.555 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 78.3 t . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.0 109.506 -179.756 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.77 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.099 -1.001 . . . . 1.0 108.869 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.48 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.368 -0.833 . . . . 1.0 109.178 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.38 -42.77 58.74 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.338 -0.851 . . . . 1.0 108.923 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.534 -0.729 . . . . 1.0 109.342 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.25 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 1.0 110.142 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.43 56.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.158 -0.964 . . . . 1.0 110.146 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.34 -36.7 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.987 -1.071 . . . . 1.0 109.446 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.58 80.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.0 109.669 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.4 -50.76 66.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 1.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.99 -43.13 97.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.538 -0.726 . . . . 1.0 109.321 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.565 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 13.2 m-70 -63.5 -40.81 98.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 1.0 109.762 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.99 -41.43 99.42 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 110.053 -1.219 . . . . 1.0 110.053 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.93 73.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.858 -1.378 . . . . 1.0 109.669 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 650' ' ' TYR . 77.0 t -63.95 -46.7 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.0 109.081 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -36.22 50.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.85 . . . . 1.0 108.948 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.55 74.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.234 -0.916 . . . . 1.0 108.986 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -44.12 66.48 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.84 -1.17 . . . . 1.0 107.84 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -42.73 95.71 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.921 -1.14 . . . . 1.0 107.921 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.98 -45.14 62.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.0 110.186 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.75 -47.55 83.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.966 -1.084 . . . . 1.0 108.911 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.09 92.93 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.15 -45.92 92.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.546 -0.721 . . . . 1.0 109.92 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.1 t -59.12 -38.94 80.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.177 -0.952 . . . . 1.0 108.938 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.98 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.0 109.872 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.13 -42.62 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 1.0 109.462 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.329 -0.857 . . . . 1.0 109.971 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.611 -0.515 . . . . 1.0 109.611 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 697' ' ' GLY . 67.6 mt -59.13 -46.55 88.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.0 109.43 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.0 -46.03 90.82 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.226 -1.027 . . . . 1.0 108.226 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.621 -0.881 . . . . 1.0 108.621 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.65 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.573 -0.705 . . . . 1.0 109.83 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.93 -47.27 85.65 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.273 -0.892 . . . . 1.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 82.8 p -59.16 -47.35 85.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0 109.506 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -64.07 -43.3 95.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.592 -0.693 . . . . 1.0 109.702 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.442 ' NE2' ' C ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -70.19 -30.06 67.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 1.0 110.113 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.62 -50.53 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 1.0 110.186 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.81 -37.78 88.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.139 -0.976 . . . . 1.0 108.963 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -63.69 -34.05 77.01 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.026 -1.102 . . . . 1.0 108.026 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 646' ' ' MET . 0.0 OUTLIER -68.1 -37.88 81.69 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.652 -0.87 . . . . 1.0 108.652 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.44 -51.59 65.05 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.696 0.76 . . . . 1.0 109.072 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.17 -43.39 87.02 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.74 -0.6 . . . . 1.0 109.502 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.11 -45.01 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 1.0 110.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.565 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 29.9 t80 -69.82 -34.46 73.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.03 -1.044 . . . . 1.0 109.777 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -72.89 -40.1 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.015 -1.053 . . . . 1.0 109.817 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 656' ' ' HIS . 85.1 m -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.012 . . . . 1.0 109.885 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 49.5 mt -71.77 -34.38 69.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.038 . . . . 1.0 110.087 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.72 -43.59 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 1.0 109.251 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.36 -44.28 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.913 -1.117 . . . . 1.0 108.609 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 652' ' ' THR . 63.5 m-70 -59.75 -40.16 87.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 107.145 -1.428 . . . . 1.0 107.145 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.55 16.0 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.646 -1.382 . . . . 1.0 109.646 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -59.35 -28.25 66.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.136 -1.214 . . . . 1.0 110.415 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.85 -37.8 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 1.0 109.885 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 660' ' ' LEU . 1.1 pp -51.68 -30.16 20.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.0 109.648 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 54.9 t0 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.282 -0.886 . . . . 1.0 109.674 179.814 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 671' ' ' LEU . 4.0 mm? -62.68 -28.29 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 1.0 109.445 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -67.84 -45.53 74.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.286 -0.884 . . . . 1.0 109.411 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . 0.504 ' OD2' ' NH2' ' A' ' 676' ' ' ARG . 5.4 t0 -56.93 -36.77 70.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.241 -0.912 . . . . 1.0 109.543 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.73 -41.27 99.09 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 1.0 109.692 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -57.7 -36.7 72.34 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.788 -1.189 . . . . 1.0 107.788 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . 0.504 ' NH2' ' OD2' ' A' ' 673' ' ' ASP . 24.2 ttp-105 -72.71 -39.89 66.61 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.371 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 1.9 tt -70.79 -49.35 47.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.071 -1.018 . . . . 1.0 108.836 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.82 -31.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . 0.461 ' O ' ' NH1' ' A' ' 682' ' ' ARG . . . -69.01 -39.43 79.31 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.549 -0.719 . . . . 1.0 109.149 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -43.95 71.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 7.4 t -57.88 -33.07 68.32 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.094 -1.004 . . . . 1.0 111.03 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 679' ' ' ALA . 14.4 ptt-85 -77.59 -30.63 52.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.445 -1.409 . . . . 1.0 109.594 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -67.54 -46.99 71.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.125 -0.984 . . . . 1.0 110.719 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -55.58 -54.01 56.11 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.055 -1.028 . . . . 1.0 112.315 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.0 Cg_endo -61.98 -42.92 27.49 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.016 1.81 . . . . 1.0 112.758 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -68.33 -44.02 76.25 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.125 -0.984 . . . . 1.0 108.465 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.78 -33.92 68.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -0.808 . . . . 1.0 109.051 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -59.21 -40.22 85.12 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.13 -0.981 . . . . 1.0 108.469 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -68.17 -44.99 74.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.556 -0.715 . . . . 1.0 109.396 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.12 -46.21 71.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.345 -0.847 . . . . 1.0 109.423 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -32.35 68.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.174 -0.954 . . . . 1.0 108.445 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.28 -31.93 73.32 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.373 -0.829 . . . . 1.0 109.19 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.8 t -66.22 -37.15 84.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.337 -0.852 . . . . 1.0 110.318 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.417 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.1 m-85 -63.73 -40.64 97.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.841 -1.162 . . . . 1.0 108.906 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.3 mm? -62.24 -37.8 86.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.319 -0.863 . . . . 1.0 109.143 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -71.65 -44.12 64.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.248 -0.908 . . . . 1.0 110.874 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' A' ' 635' ' ' LEU . . . -54.74 -27.76 44.36 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 695' ' ' LEU . 2.3 p30 -116.55 10.96 14.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -1.115 . . . . 1.0 109.788 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -55.45 -31.44 61.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.981 . . . . 1.0 109.825 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 700' ' ' SER . . . . . 0.403 ' O ' ' CA ' ' A' ' 704' ' ' ARG . 83.5 p -58.5 -39.36 79.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.063 -1.023 . . . . 1.0 108.728 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 97.8 mt -87.97 -46.34 9.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 1.0 110.429 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.6 -32.89 63.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.821 -1.174 . . . . 1.0 108.9 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.558 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 10.0 m-85 -125.67 -66.68 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.128 -0.982 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.3 -0.875 . . . . 1.0 109.525 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 553' ' ' GLU . 54.0 mp0 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.21 -35.71 77.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.105 -0.997 . . . . 1.0 110.509 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.76 -36.86 83.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.949 -1.094 . . . . 1.0 110.418 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' VAL . . . . . 0.523 ' O ' ' OG1' ' A' ' 560' ' ' THR . 72.2 t -77.45 -43.58 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.721 -1.237 . . . . 1.0 107.708 178.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.468 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -59.11 -43.94 91.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.542 -0.724 . . . . 1.0 109.562 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 13.8 m -70.41 -31.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 1.0 109.389 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.46 -47.98 37.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 1.0 109.925 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.8 -42.27 97.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.929 -1.107 . . . . 1.0 109.591 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -34.38 69.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.092 -1.005 . . . . 1.0 109.198 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.47 84.06 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.443 -0.785 . . . . 1.0 109.548 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -61.84 -36.09 80.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.257 -0.902 . . . . 1.0 108.897 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' A' ' 568' ' ' VAL . 4.4 mp -61.57 -40.85 96.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.455 -0.778 . . . . 1.0 109.215 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.07 -33.75 73.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.307 -0.87 . . . . 1.0 109.692 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' GLN . . . . . 0.44 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.7 mt-30 -79.06 -51.16 9.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.992 -1.068 . . . . 1.0 108.497 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -63.49 -34.84 91.05 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 564' ' ' LEU . 79.2 t -71.05 -48.62 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -1.21 . . . . 1.0 108.887 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.0 p -66.81 -37.15 83.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.268 -0.895 . . . . 1.0 109.043 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 95.2 m -65.5 -44.29 87.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.633 -0.667 . . . . 1.0 110.904 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 54.5 p -69.49 -35.21 75.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.024 -1.047 . . . . 1.0 110.355 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . 0.478 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 85.4 t -70.03 -37.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.898 -1.126 . . . . 1.0 109.563 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.13 82.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.169 -0.957 . . . . 1.0 108.647 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.7 -48.82 79.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 1.0 109.433 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.0 tp -57.34 -48.24 79.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.42 -0.8 . . . . 1.0 109.129 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -40.3 74.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.521 -0.737 . . . . 1.0 109.148 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -43.07 99.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 1.0 109.101 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 36.5 tp -64.34 -43.34 94.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.308 -0.87 . . . . 1.0 109.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.161 -0.962 . . . . 1.0 109.556 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.096 0.474 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.1 -45.73 91.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.041 -1.037 . . . . 1.0 109.694 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 602' ' ' LEU . 2.9 p30 -63.16 -35.42 80.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.349 -0.844 . . . . 1.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.576 ' N ' ' OD1' ' A' ' 601' ' ' ASP . 2.0 tt -77.28 -43.14 34.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 1.0 108.994 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -68.27 -39.11 82.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.347 -0.846 . . . . 1.0 109.522 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.03 -34.09 74.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 1.0 109.813 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.64 77.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.16 -0.962 . . . . 1.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.22 -36.52 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.975 -1.078 . . . . 1.0 109.507 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.61 75.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.72 95.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 1.0 109.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 1.2 t -61.8 -43.7 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 1.0 109.278 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' HIS . . . . . 0.555 ' HE2' ' CB ' ' A' ' 653' ' ' LEU . 4.9 m80 -59.24 -29.04 67.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 1.0 109.319 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -67.62 -43.89 84.02 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.08 76.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.812 -1.405 . . . . 1.0 110.277 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -72.11 -43.27 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 610' ' ' HIS . 43.5 m170 -55.01 -37.03 66.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 1.0 108.977 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.49 66.41 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.366 -0.976 . . . . 1.0 108.366 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.4 -44.76 67.32 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.379 -0.971 . . . . 1.0 108.379 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.433 ' CD1' ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -60.77 -35.73 77.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.367 -0.833 . . . . 1.0 108.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.46 -44.2 65.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.186 -0.946 . . . . 1.0 109.897 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -45.81 91.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.031 -1.043 . . . . 1.0 109.132 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.63 90.67 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -42.11 73.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.713 -0.617 . . . . 1.0 109.651 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.6 t -60.64 -46.48 90.15 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.24 -0.913 . . . . 1.0 108.775 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.8 80.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.409 -0.807 . . . . 1.0 109.373 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' VAL . . . . . 0.546 ' O ' ' C ' ' A' ' 625' ' ' SER . 76.0 t -60.99 -48.14 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.454 -0.779 . . . . 1.0 109.803 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 624' ' ' VAL . 9.4 p . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.92 . . . . 1.0 109.675 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 635' ' ' LEU . 9.6 mp -60.37 -47.32 86.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.2 -0.937 . . . . 1.0 109.211 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -61.88 -46.13 90.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.209 -0.932 . . . . 1.0 108.514 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.79 75.12 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.782 -0.821 . . . . 1.0 108.782 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' LYS . . . . . 0.598 ' CB ' ' HZ3' ' A' ' 638' ' ' LYS . 0.0 OUTLIER -63.77 -38.29 90.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 1.0 109.157 178.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' LEU . . . . . 0.482 ' CD1' HD22 ' A' ' 698' ' ' ASN . 5.8 tt -59.81 -47.45 85.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 1.0 109.484 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 24.5 m -57.91 -41.91 83.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.873 . . . . 1.0 109.755 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.01 -45.31 95.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 1.0 109.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' GLN . . . . . 0.533 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 27.3 mt-30 -72.69 -30.5 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 1.0 110.159 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -50.84 61.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.129 -0.982 . . . . 1.0 109.304 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.89 -36.21 83.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -0.925 . . . . 1.0 108.849 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -63.03 -35.02 78.82 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.664 -1.235 . . . . 1.0 107.664 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 3.4 tpt -70.06 -37.65 75.55 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.383 -0.969 . . . . 1.0 108.383 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.14 -49.82 74.33 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.667 0.746 . . . . 1.0 109.081 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' ASP . . . . . 0.426 ' O ' ' OG1' ' A' ' 652' ' ' THR . 10.2 t70 -53.72 -42.71 68.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.668 -0.645 . . . . 1.0 109.955 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.47 -36.0 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 1.0 109.628 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.433 ' CE2' ' CD1' ' A' ' 617' ' ' LEU . 3.1 m-85 -62.3 -51.68 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 1.0 109.796 -179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -68.81 -36.84 78.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 1.0 109.549 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 648' ' ' ASP . 84.8 m -57.71 -41.49 81.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.207 -0.933 . . . . 1.0 109.182 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.555 ' CB ' ' HE2' ' A' ' 610' ' ' HIS . 41.9 mt -69.26 -41.56 76.74 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 1.0 109.179 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.83 -44.1 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -0.863 . . . . 1.0 109.989 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.6 -46.43 89.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.975 -1.078 . . . . 1.0 108.444 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.58 -41.49 90.33 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.277 -1.008 . . . . 1.0 108.277 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.9 -44.55 55.49 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -58.03 -40.12 80.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.01 -1.288 . . . . 1.0 109.452 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.91 -34.46 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -0.843 . . . . 1.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.71 -32.55 63.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.939 -1.101 . . . . 1.0 109.208 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 63.5 t0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 1.0 109.6 -179.852 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' THR . . . . . 0.569 ' HG1' ' N ' ' A' ' 671' ' ' LEU . 1.4 t . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.2 0.524 . . . . 1.0 109.651 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' LEU . . . . . 0.569 ' N ' ' HG1' ' A' ' 670' ' ' THR . 2.5 mm? -62.2 -26.82 68.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.0 109.211 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 22.6 p-10 -67.28 -43.06 82.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 1.0 109.517 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 0.2 OUTLIER -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 1.0 109.684 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.08 -43.63 74.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 1.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.06 -37.96 78.28 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.521 -1.288 . . . . 1.0 107.521 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -71.45 -40.28 70.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.703 -0.623 . . . . 1.0 109.504 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.12 -49.39 44.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.052 -1.03 . . . . 1.0 108.673 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.98 -32.91 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.08 -46.81 66.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.481 -0.762 . . . . 1.0 109.238 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 77.6 m -65.75 -39.43 91.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.27 -0.894 . . . . 1.0 109.691 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 0.1 OUTLIER -54.65 -34.32 62.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.193 -0.942 . . . . 1.0 110.575 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -78.8 -28.48 44.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.657 -1.277 . . . . 1.0 109.674 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.42 63.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.135 -0.978 . . . . 1.0 110.446 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -50.05 87.41 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.157 -0.965 . . . . 1.0 112.338 -175.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.8 Cg_exo -65.38 -41.93 14.41 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.604 1.536 . . . . 1.0 112.678 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -40.09 92.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.909 -1.119 . . . . 1.0 108.682 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -75.77 -35.88 60.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.516 -0.74 . . . . 1.0 109.586 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.06 95.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.1 . . . . 1.0 108.87 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.433 -0.792 . . . . 1.0 109.376 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.82 -43.04 72.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 1.0 108.922 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.69 -36.2 78.18 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -35.87 77.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 1.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.4 m -68.15 -35.16 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 1.0 109.726 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.533 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.2 m-30 -65.03 -42.13 94.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 1.0 108.789 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.9 mp -62.76 -35.62 80.41 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.251 -0.906 . . . . 1.0 108.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -70.48 -40.68 73.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -0.81 . . . . 1.0 109.654 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.68 -26.17 64.48 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.166 -1.574 . . . . 1.0 109.166 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' ASN . . . . . 0.482 HD22 ' CD1' ' A' ' 639' ' ' LEU . 30.7 p30 -119.34 3.29 11.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.464 -1.021 . . . . 1.0 109.531 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -49.74 -39.89 39.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 1.0 109.396 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 700' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 704' ' ' ARG . 36.4 m -51.22 -35.23 35.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.223 -0.923 . . . . 1.0 109.72 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 95.0 mt -87.29 -41.07 13.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 1.0 110.796 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -32.96 65.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.878 -1.139 . . . . 1.0 108.864 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 703' ' ' PHE . . . . . 0.468 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 8.8 m-85 -116.53 -75.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 1.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 704' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 700' ' ' SER . 60.6 ttt-85 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.328 -0.858 . . . . 1.0 109.256 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 547' ' ' SER . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.423 2.529 . . . . 1.0 119.423 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 546' ' ' GLY . 8.1 m 48.96 94.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -1.15 . . . . 1.0 109.498 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -53.91 -34.29 51.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.627 -1.389 . . . . 1.0 109.627 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -80.71 137.6 36.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.318 -1.107 . . . . 1.0 109.547 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.58 154.74 71.29 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 1.0 109.553 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.96 154.93 71.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.904 2.403 . . . . 1.0 112.3 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 12.6 mt -103.95 145.21 30.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.831 . . . . 1.0 109.191 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.07 160.46 15.29 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.306 -0.871 . . . . 1.0 109.116 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.71 -41.28 81.43 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.251 -0.906 . . . . 1.0 109.561 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.14 -41.02 97.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.118 -0.989 . . . . 1.0 109.799 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.518 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.5 t -69.87 -47.0 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.647 -1.242 . . . . 1.0 107.647 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.47 82.25 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.523 -0.918 . . . . 1.0 108.523 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.0 t -70.3 -39.27 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.391 -0.818 . . . . 1.0 108.962 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.88 -51.93 23.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.38 -0.825 . . . . 1.0 110.164 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.3 OUTLIER -62.95 -45.97 89.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.899 -1.125 . . . . 1.0 109.944 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.89 -38.27 85.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.92 -1.113 . . . . 1.0 109.79 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.79 -35.23 70.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.0 109.732 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -65.01 -39.48 93.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 1.0 108.897 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 616' ' ' LEU . 10.6 mp -61.81 -42.82 99.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.569 -0.707 . . . . 1.0 109.919 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.88 -34.54 76.22 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 1.0 109.717 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.442 ' O ' ' OG1' ' A' ' 570' ' ' THR . 98.8 mm-40 -77.85 -48.55 16.2 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -61.54 -33.15 83.83 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 52.3 t -74.86 -48.75 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.135 -1.215 . . . . 1.0 108.603 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 24.3 t -64.67 -31.68 73.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.278 -0.889 . . . . 1.0 108.757 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 59.8 m -76.04 -40.54 53.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.627 -0.67 . . . . 1.0 109.606 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 30.7 p -69.18 -45.41 70.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 1.0 109.472 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.406 ' N ' ' HG1' ' A' ' 571' ' ' THR . 26.6 m -60.58 -34.76 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 1.0 109.091 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.61 77.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 570' ' ' THR . 3.2 m-70 -60.45 -43.61 96.7 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.601 -0.687 . . . . 1.0 109.673 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -54.61 -45.4 73.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 1.0 109.836 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -36.48 71.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 1.0 109.38 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -63.63 -37.97 89.34 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.22 -0.925 . . . . 1.0 109.263 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.45 -35.83 68.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0 109.525 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.5 -38.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 1.0 109.522 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . 0.434 ' O ' ' OG ' ' A' ' 583' ' ' SER . . . -53.78 -38.15 58.83 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.512 -1.435 . . . . 1.0 109.512 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 90.6 p -65.65 -22.65 66.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.269 -1.136 . . . . 1.0 109.612 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -85.1 24.96 1.02 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 1.0 109.444 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 580' ' ' GLY . 50.1 m -57.0 -36.8 70.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 1.0 109.502 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -145.46 165.46 27.89 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.51 -1.436 . . . . 1.0 109.51 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.21 -23.74 66.15 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.921 2.414 . . . . 1.0 112.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 78.8 125.02 0.4 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.579 -1.408 . . . . 1.0 109.579 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 85.84 177.83 50.16 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.556 -1.418 . . . . 1.0 109.556 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 588' ' ' TRP . 0.0 OUTLIER -94.48 -62.98 1.23 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.25 -1.147 . . . . 1.0 109.364 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -123.28 142.2 51.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 1.0 109.398 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 591' ' ' THR . 15.3 t -149.42 58.62 1.01 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.203 -0.936 . . . . 1.0 109.473 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 590' ' ' SER . 39.0 p 46.27 -169.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.894 . . . . 1.0 109.447 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.0 p -69.49 160.21 31.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 1.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 48.35 69.75 2.51 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 1.0 109.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.91 -24.99 33.77 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.799 2.332 . . . . 1.0 112.141 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -98.61 141.62 31.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -0.956 . . . . 1.0 109.199 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 2.0 mt-10 176.43 -46.85 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 121.311 -0.868 . . . . 1.0 110.096 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 23.1 Cg_exo -56.79 -43.44 54.57 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.217 1.945 . . . . 1.0 113.857 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 84.0 Cg_endo -81.53 10.68 3.36 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.73 1.62 . . . . 1.0 112.157 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.383 -0.823 . . . . 1.0 109.842 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.71 -41.95 78.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.175 -0.953 . . . . 1.0 109.45 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.304 -0.872 . . . . 1.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 32.9 tp -71.84 -43.49 65.45 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.382 -0.824 . . . . 1.0 109.084 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.88 -34.5 76.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.372 -0.83 . . . . 1.0 109.92 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.08 -40.33 68.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.894 . . . . 1.0 110.54 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.53 -46.62 59.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.029 -1.044 . . . . 1.0 110.252 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.14 -40.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.976 -1.078 . . . . 1.0 109.38 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.47 75.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0 109.506 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.3 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 1.0 109.73 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.5 OUTLIER -62.39 -42.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.112 -0.993 . . . . 1.0 109.158 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.688 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 29.2 m-70 -63.06 -37.92 89.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 1.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.41 -41.18 96.91 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.61 77.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.909 -1.348 . . . . 1.0 109.746 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.481 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 78.7 t -65.79 -47.12 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 1.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.19 -38.23 62.65 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.401 -0.963 . . . . 1.0 108.401 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.11 -32.32 72.0 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.227 -1.027 . . . . 1.0 108.227 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 564' ' ' LEU . 2.4 tt -71.06 -42.42 69.45 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.603 -1.258 . . . . 1.0 107.603 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -40.88 94.5 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.765 -1.198 . . . . 1.0 107.765 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.12 -45.15 61.68 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.354 -0.841 . . . . 1.0 109.7 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -61.75 -47.81 83.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 1.0 109.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.58 91.73 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.412 -0.958 . . . . 1.0 108.412 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -47.42 83.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.747 -0.596 . . . . 1.0 109.809 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 49.4 m -58.83 -42.04 88.31 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 1.0 109.317 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.95 78.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 1.0 109.644 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 62.3 t -60.58 -38.1 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 1.0 109.481 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 627' ' ' ALA . 34.1 p -67.33 166.05 15.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 1.0 109.465 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.25 6.43 1.01 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 1.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 625' ' ' SER . . . -92.48 114.64 27.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.252 -0.905 . . . . 1.0 109.197 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' THR . . . . . 0.544 ' O ' ' ND1' ' A' ' 629' ' ' HIS . 6.2 t -142.93 145.98 33.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.345 -0.847 . . . . 1.0 109.878 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.544 ' ND1' ' O ' ' A' ' 628' ' ' THR . 0.1 OUTLIER 176.1 99.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 1.0 109.423 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 49.3 m -61.58 -34.95 76.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 1.0 109.435 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 632' ' ' ASP . 80.6 p -59.17 -33.49 70.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.912 . . . . 1.0 109.409 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.524 ' N ' ' HG ' ' A' ' 631' ' ' SER . 88.4 m-20 -113.22 156.59 23.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 1.0 109.258 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -164.49 -28.76 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.807 . . . . 1.0 109.674 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' ' 635' ' ' LEU . 72.6 p -64.36 -36.51 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.161 -0.962 . . . . 1.0 109.317 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.488 ' N ' ' HG1' ' A' ' 634' ' ' THR . 72.1 mt -58.13 -47.3 83.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 1.0 109.515 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . 0.417 ' O ' ' OG ' ' A' ' 640' ' ' SER . 70.3 t60 -61.04 -44.16 97.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.044 -1.035 . . . . 1.0 108.482 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.53 73.32 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -63.95 -44.9 91.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.0 109.805 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 23.3 tp -69.36 -47.33 64.65 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.896 . . . . 1.0 109.676 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 636' ' ' HIS . 19.4 m -60.88 -42.12 97.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 1.0 109.694 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -60.15 -46.68 88.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.254 -0.904 . . . . 1.0 109.677 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.494 ' NE2' ' HZ3' ' A' ' 645' ' ' LYS . 22.4 tp60 -75.12 -36.82 61.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 1.0 109.966 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.32 -48.88 54.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.292 -0.88 . . . . 1.0 109.879 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 645' ' ' LYS . 1.4 pt20 -63.74 -35.23 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.043 . . . . 1.0 108.842 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.494 ' HZ3' ' NE2' ' A' ' 642' ' ' GLN . 32.0 ttpt -63.69 -37.11 86.13 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.713 -1.218 . . . . 1.0 107.713 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 27.0 tpp -67.96 -38.57 82.93 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.99 -51.51 68.94 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.986 -0.746 . . . . 1.0 108.986 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.23 -40.68 96.55 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.542 -0.724 . . . . 1.0 109.431 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . 0.487 ' O ' ' OG1' ' A' ' 652' ' ' THR . 77.4 t -70.55 -35.21 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.326 -0.859 . . . . 1.0 109.81 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.688 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 14.5 t80 -68.86 -39.73 79.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.0 109.909 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.87 -29.76 65.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.89 -1.132 . . . . 1.0 109.464 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 649' ' ' VAL . 37.0 p -66.2 -37.1 84.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 1.0 110.508 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 657' ' ' GLY . 9.4 mt -73.46 -33.79 65.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.77 -1.206 . . . . 1.0 109.87 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.59 -43.13 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 1.0 109.067 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.7 t -68.67 -43.86 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.046 -1.034 . . . . 1.0 108.523 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -65.43 -37.93 88.38 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.485 -1.302 . . . . 1.0 107.485 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.48 -44.12 42.51 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -57.0 -31.36 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.036 -1.273 . . . . 1.0 108.685 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 80.0 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.35 -0.844 . . . . 1.0 108.936 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 660' ' ' LEU . 0.3 OUTLIER -65.19 -28.94 69.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.291 -0.88 . . . . 1.0 109.241 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 660' ' ' LEU . 55.7 t0 -63.85 -43.0 97.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.416 -0.803 . . . . 1.0 109.556 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 76.7 p -156.87 170.17 23.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.137 -0.977 . . . . 1.0 109.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -152.31 136.8 5.58 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -59.43 -32.78 70.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -1.148 . . . . 1.0 109.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -74.99 171.73 53.71 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -54.77 -73.85 0.37 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.406 -1.478 . . . . 1.0 109.406 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.66 145.12 56.74 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 123.001 2.467 . . . . 1.0 112.413 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -87.98 -73.13 1.28 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.07 165.87 27.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -1.153 . . . . 1.0 109.513 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 25.7 p -104.8 167.78 9.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 1.0 108.918 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.75 -26.03 63.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 1.0 108.631 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.68 -48.52 81.34 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 1.0 109.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' A' ' 676' ' ' ARG . 75.9 m-20 -55.81 -35.42 66.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.38 -0.825 . . . . 1.0 110.069 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.7 -34.73 77.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 1.0 109.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.08 -36.47 79.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.525 -1.287 . . . . 1.0 107.525 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' A' ' 673' ' ' ASP . 87.7 mtm-85 -75.05 -36.69 61.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.697 -0.627 . . . . 1.0 109.497 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.76 -46.75 71.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.966 -1.084 . . . . 1.0 108.705 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.49 -31.06 42.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.77 -46.88 51.03 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.54 -0.725 . . . . 1.0 109.501 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 59.2 m -67.35 -37.94 84.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.121 -0.987 . . . . 1.0 109.41 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.618 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -57.01 -34.73 68.46 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 1.0 110.416 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -73.04 -25.8 61.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.87 -1.144 . . . . 1.0 110.551 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.69 -42.47 67.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.98 -1.075 . . . . 1.0 111.657 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.512 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -60.28 -51.73 78.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 1.0 112.192 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.618 ' CD ' ' O ' ' A' ' 681' ' ' SER . 36.7 Cg_endo -65.82 -37.43 27.55 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.011 1.807 . . . . 1.0 112.955 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.36 -38.19 79.79 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.882 -1.136 . . . . 1.0 108.01 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -72.14 -30.05 64.64 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.4 94.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.21 -0.932 . . . . 1.0 108.693 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.19 -43.34 87.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.444 -0.785 . . . . 1.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.23 -42.0 89.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.943 -1.098 . . . . 1.0 110.0 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mt -60.39 -35.16 75.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.966 -1.084 . . . . 1.0 108.673 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.5 -36.14 75.47 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.5 m -65.92 -41.5 91.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -0.893 . . . . 1.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.484 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.2 m-85 -64.94 -36.24 83.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 1.0 108.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 699' ' ' ALA . 95.0 mt -61.5 -37.66 84.46 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 40.8 m80 -66.79 -47.56 71.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.461 -0.775 . . . . 1.0 110.128 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -55.44 -27.2 47.09 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.843 -1.303 . . . . 1.0 109.843 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.63 4.79 10.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -1.21 . . . . 1.0 109.689 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.61 -40.03 59.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 1.0 109.661 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' SER . . . . . 0.452 ' HG ' ' N ' ' A' ' 701' ' ' LEU . 78.8 p -52.16 -35.63 49.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.224 -0.922 . . . . 1.0 109.605 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . 0.452 ' N ' ' HG ' ' A' ' 700' ' ' SER . 72.6 mt -87.68 -37.92 16.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 1.0 110.342 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.45 -33.97 66.4 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.614 -1.304 . . . . 1.0 107.993 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -121.07 -80.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.411 -0.806 . . . . 1.0 109.638 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -173.11 -81.78 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.971 -1.081 . . . . 1.0 109.667 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 57.47 104.32 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.137 -0.977 . . . . 1.0 109.508 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 27.4 p -94.47 160.17 14.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 1.0 109.415 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -88.39 133.63 34.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 1.0 109.42 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.991 -1.004 . . . . 1.0 109.455 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.938 0 N-CA-C 119.482 2.553 . . . . 1.0 119.482 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 21.8 m -58.24 -34.62 70.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -1.121 . . . . 1.0 109.513 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 96.37 -0.78 61.91 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.58 -1.408 . . . . 1.0 109.58 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -59.13 -33.15 70.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.323 -1.104 . . . . 1.0 109.547 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.35 155.55 35.71 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.328 -0.857 . . . . 1.0 109.41 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.14 169.58 13.41 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.066 2.51 . . . . 1.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 552' ' ' LEU . 8.1 mp -76.44 170.1 17.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.173 -0.954 . . . . 1.0 109.494 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -109.2 165.38 11.66 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.796 0.807 . . . . 1.0 109.106 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.33 -41.24 75.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.0 tt0 -57.81 -44.66 86.52 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.502 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.2 -45.29 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.14 81.31 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.165 -0.68 . . . . 1.0 109.165 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -44.23 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.053 -1.029 . . . . 1.0 109.151 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 65.2 mm-40 -71.61 -48.79 45.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.167 -0.958 . . . . 1.0 109.277 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.6 m -59.69 -45.58 91.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.776 -1.202 . . . . 1.0 109.822 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.38 -46.71 89.0 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.159 -0.963 . . . . 1.0 109.747 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.16 85.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.396 -0.815 . . . . 1.0 109.939 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 566' ' ' GLN . 0.0 OUTLIER -61.08 -38.0 84.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.017 -1.052 . . . . 1.0 109.345 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 4.4 mp -75.31 -41.06 57.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.862 . . . . 1.0 109.395 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.27 -30.0 71.22 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.392 -0.817 . . . . 1.0 110.393 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 563' ' ' ARG . 96.2 mt-30 -77.42 -45.32 26.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 1.0 108.795 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.83 -32.13 82.73 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.24 -49.91 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.109 -1.23 . . . . 1.0 109.013 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 87.0 p -66.99 -37.78 84.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.226 -0.921 . . . . 1.0 108.85 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 48.9 m -62.91 -42.88 99.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 1.0 109.789 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 66.9 p -67.86 -33.47 74.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.167 -0.958 . . . . 1.0 109.404 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.51 -40.27 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.163 -0.961 . . . . 1.0 108.926 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.75 80.29 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.362 -0.977 . . . . 1.0 108.362 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -55.58 -51.62 66.49 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.333 -0.854 . . . . 1.0 109.053 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -47.72 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 1.0 109.467 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.39 -31.45 72.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 1.0 108.991 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.95 -40.73 65.12 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.448 -0.782 . . . . 1.0 109.134 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 38.9 tp -66.18 -44.45 83.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 1.0 109.551 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 581' ' ' SER . 19.0 m -80.38 -26.99 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 1.0 109.531 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 48.56 -91.6 0.01 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.594 -1.403 . . . . 1.0 109.594 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 579' ' ' VAL . 0.8 OUTLIER -124.27 33.31 5.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -1.196 . . . . 1.0 109.521 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -58.74 148.52 29.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 1.0 109.544 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 2.3 t 60.57 17.62 7.58 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.115 -0.991 . . . . 1.0 109.416 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -58.34 168.1 5.81 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.54 -1.424 . . . . 1.0 109.54 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.64 151.54 82.93 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.919 2.412 . . . . 1.0 112.223 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.73 125.12 4.87 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.631 -1.388 . . . . 1.0 109.631 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 75.49 33.69 51.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.511 -1.436 . . . . 1.0 109.511 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -55.83 -40.57 73.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -1.119 . . . . 1.0 109.633 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -93.79 78.93 4.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 1.0 109.569 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 592' ' ' SER . 84.2 p -64.72 -28.98 69.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 61.22 -2.62 0.21 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 1.0 109.472 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 590' ' ' SER . 61.8 m -146.43 165.03 30.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 1.0 109.378 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -102.72 109.21 60.53 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 1.0 109.646 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.423 ' HG2' ' H ' ' A' ' 595' ' ' GLN . 66.6 Cg_endo -80.34 -77.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.885 2.39 . . . . 1.0 112.121 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . 0.423 ' H ' ' HG2' ' A' ' 594' ' ' PRO . 25.5 mt-30 50.69 48.18 23.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 1.0 109.42 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.3 OUTLIER -57.37 -43.97 99.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.342 -0.849 . . . . 1.0 109.722 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 3.9 Cg_exo -68.79 159.56 53.28 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.163 1.908 . . . . 1.0 113.305 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -70.17 127.93 14.96 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 121.81 1.674 . . . . 1.0 111.989 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 90.5 t -70.7 -33.93 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.913 . . . . 1.0 109.815 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.08 -41.28 78.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 1.0 109.282 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.64 -33.6 74.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.297 -0.877 . . . . 1.0 109.364 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.02 -42.85 99.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 1.0 109.005 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -60.13 -35.48 75.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.864 . . . . 1.0 109.64 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.5 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 110.103 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.62 -47.24 55.93 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.206 -0.933 . . . . 1.0 110.421 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.5 m -71.32 -36.25 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.905 -1.122 . . . . 1.0 109.423 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -61.8 -36.21 80.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.92 42.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 1.0 110.193 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -62.73 -42.79 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.971 -1.08 . . . . 1.0 109.479 -178.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.499 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 1.4 m-70 -67.05 -38.87 86.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 1.0 109.549 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.91 95.37 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.077 -1.609 . . . . 1.0 109.077 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.54 79.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -1.105 . . . . 1.0 109.321 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.426 ' CG1' ' CZ ' ' A' ' 650' ' ' TYR . 90.8 t -66.92 -44.2 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.234 -0.916 . . . . 1.0 108.867 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.404 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 18.6 t-80 -54.48 -34.1 60.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.862 . . . . 1.0 108.904 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.16 -33.45 75.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.182 -0.949 . . . . 1.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.43 -37.69 85.75 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.855 -0.795 . . . . 1.0 108.855 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.4 mp -75.13 -39.44 60.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.748 -0.595 . . . . 1.0 111.135 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.404 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 42.1 mt-10 -73.17 -45.99 53.35 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.683 -1.261 . . . . 1.0 111.481 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.722 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.2 OUTLIER -71.26 -40.56 70.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.689 -1.257 . . . . 1.0 109.054 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . 0.722 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.78 -40.29 91.82 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.423 ' CD ' ' C ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -60.48 -37.3 80.59 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.794 -0.817 . . . . 1.0 108.794 178.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 22.1 t -59.48 -36.25 75.66 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.797 -0.816 . . . . 1.0 108.797 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.9 -43.01 72.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.436 -0.79 . . . . 1.0 109.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.39 -40.81 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.0 109.797 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 50.0 m -57.13 -33.02 66.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 1.0 108.783 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 75.3 m -83.58 4.1 29.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.414 -0.804 . . . . 1.0 109.264 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 628' ' ' THR . . . -63.59 -34.31 77.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.305 -0.872 . . . . 1.0 109.445 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 627' ' ' ALA . 0.1 OUTLIER 50.98 178.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 1.0 109.356 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.688 ' H ' ' CD2' ' A' ' 629' ' ' HIS . 0.2 OUTLIER -96.23 93.13 6.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 1.0 109.615 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.677 ' HG1' ' NH2' ' A' ' 705' ' ' ARG . 38.0 m -132.59 143.15 49.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.294 -0.878 . . . . 1.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 6.6 m 53.46 -163.11 0.1 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.178 -0.952 . . . . 1.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -59.24 149.71 27.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 1.0 109.214 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -98.84 5.67 47.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.258 -0.901 . . . . 1.0 109.781 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.437 ' HG1' ' N ' ' A' ' 635' ' ' LEU . 68.0 p -61.51 -38.88 88.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 1.0 109.471 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.635 ' CD2' ' H ' ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.42 -46.85 85.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.0 109.378 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . 0.533 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 44.2 t-80 -62.62 -41.32 98.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 1.0 108.187 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.0 75.42 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.22 -47.05 81.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 1.0 109.682 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.51 ' CD1' HD21 ' A' ' 698' ' ' ASN . 8.8 mp -65.96 -47.34 74.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 1.0 109.43 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.533 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 40.8 m -61.87 -39.42 91.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.313 -0.867 . . . . 1.0 110.22 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -60.74 -46.2 91.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.365 -0.835 . . . . 1.0 110.177 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -73.23 -47.52 42.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.9 -46.5 78.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 1.0 109.971 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.0 -32.14 73.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 1.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -67.27 -41.8 84.92 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.859 -1.163 . . . . 1.0 107.859 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 10.7 mtp -64.87 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.216 -1.031 . . . . 1.0 108.216 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.85 -51.16 70.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.609 0.719 . . . . 1.0 109.214 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -61.21 -40.34 93.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.613 -0.679 . . . . 1.0 109.428 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.09 -37.16 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.24 -0.913 . . . . 1.0 109.637 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.6 m-30 -57.73 -41.17 81.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.062 -1.023 . . . . 1.0 109.375 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.87 -36.82 64.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.174 -0.954 . . . . 1.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 45.8 m -59.77 -46.43 89.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 1.0 109.289 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.38 -35.83 76.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 1.0 109.665 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.16 -44.11 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 1.0 109.477 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.13 -43.16 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.087 -1.008 . . . . 1.0 108.492 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 656' ' ' HIS . 0.0 OUTLIER -65.12 -41.22 95.07 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.57 66.14 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.77 -28.56 68.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.122 -1.222 . . . . 1.0 109.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 71.1 t -63.5 -40.27 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 1.0 109.878 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 660' ' ' LEU . 0.9 OUTLIER -57.26 -23.02 45.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.166 -0.958 . . . . 1.0 109.362 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 663' ' ' GLY . 67.1 t0 -71.68 117.8 13.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 1.0 109.572 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.78 21.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 1.0 109.518 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . 0.481 ' O ' ' O ' ' A' ' 664' ' ' ARG . . . 60.1 -108.4 1.74 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.524 -1.43 . . . . 1.0 109.524 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.481 ' O ' ' O ' ' A' ' 663' ' ' GLY . 59.4 ttt180 60.65 138.36 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 1.0 109.364 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.62 4.05 66.04 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 146.3 -173.02 26.73 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.48 150.58 11.37 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.964 2.442 . . . . 1.0 112.434 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -58.84 -163.2 0.07 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.576 -1.41 . . . . 1.0 109.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.446 ' C ' ' CD1' ' A' ' 669' ' ' PHE . 31.1 p90 -131.79 164.98 24.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -1.109 . . . . 1.0 109.543 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.7 p -131.87 -179.37 5.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.148 -0.97 . . . . 1.0 109.47 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.7 mt -53.78 -23.71 12.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.0 109.216 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -64.99 -47.22 78.32 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.292 -0.88 . . . . 1.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.63 -36.84 67.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.279 -0.888 . . . . 1.0 109.55 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -62.37 -36.89 83.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.36 -0.837 . . . . 1.0 109.433 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.07 -37.0 78.6 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -74.34 -37.81 63.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.46 -48.51 67.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.149 -0.97 . . . . 1.0 108.472 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.93 -29.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.004 -1.109 . . . . 1.0 108.004 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.71 95.6 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.43 83.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 1.0 109.628 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.638 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 25.3 t -58.59 -34.81 71.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.255 -0.903 . . . . 1.0 111.401 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -77.61 -32.78 53.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.568 -1.333 . . . . 1.0 110.051 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.6 65.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.132 -0.98 . . . . 1.0 111.482 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -56.5 -52.99 69.03 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 1.0 112.368 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.638 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.5 Cg_endo -63.19 -41.17 28.97 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.986 1.791 . . . . 1.0 113.153 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.51 -41.53 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.816 -1.178 . . . . 1.0 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.43 -29.8 62.81 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.532 -0.73 . . . . 1.0 109.312 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.03 94.94 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.12 -0.988 . . . . 1.0 108.721 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.38 -41.18 89.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.534 -0.729 . . . . 1.0 109.478 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.26 -43.31 78.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 1.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.19 -36.94 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.8 -32.74 69.63 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.743 -0.836 . . . . 1.0 108.743 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.6 m -68.59 -38.54 80.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.0 109.387 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -0.949 . . . . 1.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 699' ' ' ALA . 4.0 mm? -64.84 -36.98 86.1 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.081 -1.081 . . . . 1.0 108.081 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -70.83 -43.88 67.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 1.0 109.895 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.53 -29.34 47.6 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.809 -1.316 . . . . 1.0 109.809 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.51 HD21 ' CD1' ' A' ' 639' ' ' LEU . 78.8 m-20 -122.73 9.03 9.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -1.197 . . . . 1.0 109.629 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.57 -31.32 62.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.185 -0.947 . . . . 1.0 109.434 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 704' ' ' ARG . 20.0 m -53.61 -38.03 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.968 . . . . 1.0 109.909 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.0 mt -87.58 -33.96 18.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.984 . . . . 1.0 110.369 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.27 -35.61 74.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.924 -1.11 . . . . 1.0 108.107 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' A' ' 705' ' ' ARG . 9.8 m-85 -118.56 -74.57 0.6 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 1.0 109.167 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 700' ' ' SER . 53.1 ttt85 -63.43 66.69 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.283 -0.885 . . . . 1.0 109.875 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . 0.677 ' NH2' ' HG1' ' A' ' 630' ' ' THR . 58.7 ttt85 -55.65 142.13 35.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.123 -0.985 . . . . 1.0 109.738 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 43.6 p -83.8 159.61 21.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 1.0 109.374 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -96.99 147.11 24.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 1.0 109.489 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.003 -0.999 . . . . 1.0 109.499 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.905 0 N-CA-C 119.404 2.522 . . . . 1.0 119.404 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 32.3 m -59.66 -32.67 70.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.199 -1.177 . . . . 1.0 109.43 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 93.92 7.46 61.22 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.556 -1.418 . . . . 1.0 109.556 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . 0.466 ' NH2' ' HG ' ' A' ' 625' ' ' SER . 42.6 ttp180 -90.73 141.2 29.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.13 . . . . 1.0 109.414 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.34 155.58 54.33 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 1.0 109.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.72 156.21 66.9 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.837 2.358 . . . . 1.0 112.5 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 59.4 mt -88.77 158.13 18.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.386 -0.821 . . . . 1.0 109.369 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.4 150.3 26.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.347 -0.845 . . . . 1.0 109.157 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.81 -36.75 72.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.88 -40.27 94.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.936 -1.103 . . . . 1.0 109.719 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 84.3 t -72.2 -41.07 66.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.945 -1.132 . . . . 1.0 107.945 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.63 98.52 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.904 -0.776 . . . . 1.0 108.904 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -34.46 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.037 -1.039 . . . . 1.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.11 -50.54 19.05 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 1.0 109.531 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 87.9 m -60.18 -40.63 90.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.807 -1.183 . . . . 1.0 110.021 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.54 ' O ' ' NE2' ' A' ' 565' ' ' GLN . 6.5 tt -58.89 -46.85 86.85 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.22 -0.925 . . . . 1.0 110.275 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.34 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 1.0 110.413 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -64.24 -38.97 92.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.918 -1.114 . . . . 1.0 108.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.99 -36.54 64.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.323 -0.861 . . . . 1.0 109.735 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . 0.698 ' N ' HE21 ' A' ' 565' ' ' GLN . 0.0 OUTLIER -62.94 -34.57 77.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.936 . . . . 1.0 110.644 -179.15 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.408 ' O ' ' OG1' ' A' ' 570' ' ' THR . 94.8 mt-30 -78.77 -41.4 30.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.828 -1.17 . . . . 1.0 108.793 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -61.31 -33.35 84.15 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.425 -1.87 . . . . 1.0 108.425 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.59 -49.42 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.41 -1.053 . . . . 1.0 108.784 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 m -68.59 -37.02 79.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -0.886 . . . . 1.0 108.792 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 98.1 m -62.26 -42.72 99.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 1.0 109.824 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 66.8 p -67.87 -33.66 75.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 1.0 110.055 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.39 -39.41 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.12 -0.988 . . . . 1.0 109.158 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.61 82.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.372 -0.83 . . . . 1.0 109.395 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -62.28 -47.78 82.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 1.0 109.521 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.35 -45.36 76.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 1.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -41.5 69.29 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.182 -0.949 . . . . 1.0 108.59 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.54 -41.04 96.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.5 -0.75 . . . . 1.0 109.404 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 581' ' ' SER . 1.5 tt -71.99 -43.71 64.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.0 109.468 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.72 -39.52 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 1.0 109.557 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -56.85 -33.3 63.24 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 578' ' ' LEU . 91.3 p -58.69 -32.31 69.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -1.147 . . . . 1.0 109.487 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -93.04 -57.75 2.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0 109.48 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 584' ' ' GLY . 22.9 t -59.2 -27.81 66.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.0 109.528 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -55.36 -170.13 0.07 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.06 142.85 26.39 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.841 2.361 . . . . 1.0 112.156 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -165.36 -110.22 0.23 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -84.13 176.82 51.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -145.75 -171.12 3.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -1.152 . . . . 1.0 109.588 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.416 ' O ' ' OG ' ' A' ' 590' ' ' SER . 40.3 ttp180 60.27 35.17 20.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 1.0 109.279 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 589' ' ' ARG . 10.6 p 45.84 46.81 12.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 1.0 109.467 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 62.4 m -81.07 131.58 35.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 1.0 109.425 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.3 m -73.05 143.32 47.52 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.273 -0.892 . . . . 1.0 109.435 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -171.21 69.96 0.5 Allowed Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.949 . . . . 1.0 109.554 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.99 137.69 36.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.807 2.338 . . . . 1.0 112.167 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -105.35 133.57 49.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 1.0 109.586 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -141.24 63.07 17.18 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.0 109.572 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -72.8 162.77 40.27 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.777 2.318 . . . . 1.0 111.913 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -44.72 121.95 3.74 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.563 2.176 . . . . 1.0 111.975 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.8 t -67.37 -35.77 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 1.0 109.895 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -57.98 -40.36 80.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 1.0 109.116 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.28 -43.67 97.23 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 121.359 -0.838 . . . . 1.0 108.949 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.94 -42.95 72.57 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.432 -0.793 . . . . 1.0 109.137 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -59.78 -33.88 72.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.438 -0.789 . . . . 1.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 1.0 110.15 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.35 65.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.179 -0.951 . . . . 1.0 110.254 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.3 m -69.53 -34.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.007 -1.058 . . . . 1.0 109.661 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -64.21 -31.6 72.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -0.932 . . . . 1.0 109.56 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.62 -53.86 16.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 1.0 110.366 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 3.9 p -62.24 -42.06 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 1.0 109.658 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.63 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -63.73 -41.83 97.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.111 -0.993 . . . . 1.0 109.267 179.046 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -58.59 -41.07 95.4 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.699 -1.76 . . . . 1.0 108.699 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.19 73.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -1.09 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.522 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 25.6 t -68.05 -44.51 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.581 -1.325 . . . . 1.0 108.476 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.42 -38.33 71.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -0.826 . . . . 1.0 109.529 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 618' ' ' GLU . 77.6 mm-40 -59.22 -36.72 75.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.899 -1.126 . . . . 1.0 107.965 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . 0.592 ' CD1' HE22 ' A' ' 565' ' ' GLN . 5.7 tp -68.06 -37.27 81.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.791 -0.568 . . . . 1.0 109.669 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.1 -41.08 51.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 1.0 111.352 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 619' ' ' PHE . 16.2 pt-20 -72.77 -44.89 61.02 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.779 -1.2 . . . . 1.0 111.195 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.1 OUTLIER -71.32 -42.06 69.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.697 -1.252 . . . . 1.0 108.91 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . 0.76 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -62.48 -38.98 91.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.518 -1.29 . . . . 1.0 107.518 178.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.15 75.85 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 13.0 t -58.88 -37.58 76.89 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.889 -0.782 . . . . 1.0 108.889 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.83 82.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.332 -0.855 . . . . 1.0 109.607 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.96 -41.74 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -0.832 . . . . 1.0 109.922 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' SER . . . . . 0.466 ' HG ' ' NH2' ' A' ' 549' ' ' ARG . 83.9 p -66.74 -25.24 66.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 1.0 109.005 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 79.6 p -82.84 -9.11 59.48 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.285 -0.884 . . . . 1.0 108.892 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.445 ' C ' ' HG1' ' A' ' 628' ' ' THR . . . -74.23 124.58 26.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 1.0 109.384 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' THR . . . . . 0.53 ' O ' ' CG ' ' A' ' 629' ' ' HIS . 36.3 m -155.61 116.88 3.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.0 109.921 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 628' ' ' THR . 1.5 m-70 170.74 -12.8 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.34 -0.85 . . . . 1.0 109.512 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 631' ' ' SER . 81.5 p 46.88 -92.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 1.0 109.41 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 629' ' ' HIS . 9.4 m 47.13 -125.73 1.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.0 109.389 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' A' ' 634' ' ' THR . 89.6 m-20 -55.48 -36.94 67.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 1.0 109.416 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 65.77 -7.71 0.34 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.335 -0.853 . . . . 1.0 109.368 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 632' ' ' ASP . 82.1 p -64.42 -39.22 93.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 1.0 109.538 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.499 ' CD2' ' H ' ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.59 -47.23 84.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 1.0 109.217 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -59.63 -47.58 85.04 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.8 65.81 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.435 -0.95 . . . . 1.0 108.435 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -60.66 -38.66 85.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.41 -0.806 . . . . 1.0 109.681 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 635' ' ' LEU . 53.8 tp -73.94 -45.93 47.29 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.23 -0.919 . . . . 1.0 109.201 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 21.6 m -61.53 -45.73 92.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.892 . . . . 1.0 110.468 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -60.83 -45.72 93.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.881 -1.137 . . . . 1.0 110.17 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -71.68 -44.16 64.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.927 -1.108 . . . . 1.0 109.813 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.14 -41.71 73.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.16 -0.962 . . . . 1.0 110.025 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.8 -37.0 86.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.06 -1.025 . . . . 1.0 108.572 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -63.44 -37.91 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 646' ' ' MET . 13.4 tpp -67.24 -37.54 83.7 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.941 0.877 . . . . 1.0 108.723 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.64 -51.27 65.92 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.62 0.724 . . . . 1.0 109.637 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.29 -42.84 74.94 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.482 -0.761 . . . . 1.0 109.779 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.69 -44.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.0 109.307 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.63 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 22.5 t80 -62.88 -33.59 75.62 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.391 -0.818 . . . . 1.0 109.864 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.45 -32.25 72.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 1.0 109.812 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 62.4 m -65.89 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 1.0 109.204 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.4 ' CB ' ' HE2' ' A' ' 610' ' ' HIS . 23.2 mt -65.99 -36.21 82.68 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 1.0 109.138 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.78 -44.58 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.36 -0.838 . . . . 1.0 109.655 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.58 -46.28 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.901 -1.125 . . . . 1.0 108.283 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -60.94 -37.46 82.41 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.35 -41.6 37.14 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.25 -29.0 57.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.101 -1.235 . . . . 1.0 109.343 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -39.81 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 1.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.3 89.36 6.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.024 -1.048 . . . . 1.0 109.394 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 662' ' ' SER . 45.2 t0 -169.56 -104.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 1.0 109.552 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.403 ' N ' ' CG ' ' A' ' 661' ' ' ASP . 47.8 m -59.85 155.51 16.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 1.0 109.45 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -146.09 112.39 0.62 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.705 -1.358 . . . . 1.0 109.705 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -61.21 -36.28 79.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.18 -1.188 . . . . 1.0 109.588 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 666' ' ' GLY . . . 153.5 -178.78 30.3 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.587 -1.405 . . . . 1.0 109.587 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 665' ' ' GLY . . . 47.76 -173.49 0.03 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.5 -1.44 . . . . 1.0 109.5 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.24 150.32 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.968 2.445 . . . . 1.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -139.03 -120.52 1.81 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.741 -1.343 . . . . 1.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -55.19 -35.22 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.248 -1.148 . . . . 1.0 109.178 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.7 149.3 0.05 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.987 -1.071 . . . . 1.0 109.747 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.9 -24.41 51.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.0 109.4 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.0 -48.24 82.51 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.37 -0.831 . . . . 1.0 109.557 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.03 -33.73 67.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.0 109.747 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.75 -37.98 83.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 1.0 109.475 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.54 -36.23 79.99 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.316 -1.364 . . . . 1.0 107.316 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.497 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 53.1 mtm180 -73.7 -38.59 64.8 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.122 -0.696 . . . . 1.0 109.122 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 2.0 tt -69.8 -48.05 60.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 1.0 108.873 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.05 -31.01 40.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.068 -1.086 . . . . 1.0 108.068 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.19 57.38 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.594 -0.691 . . . . 1.0 109.199 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 15.5 m -63.5 -36.19 82.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 1.0 109.206 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.581 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.8 t -58.67 -33.89 70.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.268 -0.895 . . . . 1.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -71.68 -25.95 62.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.731 -1.23 . . . . 1.0 109.537 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.42 -43.08 70.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 1.0 111.171 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -51.74 79.53 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.864 -1.147 . . . . 1.0 112.012 -177.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.581 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.6 Cg_exo -61.02 -43.8 28.06 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.901 1.734 . . . . 1.0 112.949 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.68 -40.62 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.733 -1.229 . . . . 1.0 108.073 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.42 -36.07 78.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.719 . . . . 1.0 109.455 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.08 98.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.008 . . . . 1.0 108.771 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.53 -48.91 68.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.389 -0.82 . . . . 1.0 108.931 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.78 -43.42 98.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.435 -0.791 . . . . 1.0 109.171 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.14 -34.74 70.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.048 -1.093 . . . . 1.0 108.048 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.56 73.76 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.388 -0.82 . . . . 1.0 108.934 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.9 t -63.91 -41.51 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 1.0 109.945 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -61.2 -39.97 92.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -0.996 . . . . 1.0 108.523 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.1 mp -62.52 -40.32 96.39 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.75 -51.41 68.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.62 -0.675 . . . . 1.0 110.419 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . 0.54 ' C ' HD21 ' A' ' 698' ' ' ASN . . . -60.73 -23.86 61.52 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.76 -1.209 . . . . 1.0 110.12 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.54 HD21 ' C ' ' A' ' 697' ' ' GLY . 1.7 m120 -114.67 9.29 16.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.328 . . . . 1.0 109.73 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.5 -28.11 66.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 1.0 109.56 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 29.7 m -66.9 -45.41 78.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 1.0 109.723 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.2 -20.68 15.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.0 110.26 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 698' ' ' ASN . 55.0 tp -63.2 -28.63 70.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.8 -1.187 . . . . 1.0 108.403 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -122.11 -99.07 0.43 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.465 -0.772 . . . . 1.0 109.198 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -171.87 62.48 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.389 -0.819 . . . . 1.0 109.088 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -139.09 146.33 40.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 1.0 109.471 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 30.2 p -87.23 158.59 19.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.255 -0.903 . . . . 1.0 109.526 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -60.54 -35.62 76.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.94 . . . . 1.0 109.451 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.029 -0.986 . . . . 1.0 109.441 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.838 0 N-CA-C 119.457 2.543 . . . . 1.0 119.457 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 87.0 p -60.21 -29.75 68.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.284 -1.127 . . . . 1.0 109.457 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 93.47 2.89 65.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.606 -1.398 . . . . 1.0 109.606 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -57.1 -36.75 71.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.218 -1.166 . . . . 1.0 109.37 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -145.47 157.91 51.56 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.231 -0.918 . . . . 1.0 109.153 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -40.31 165.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.629 2.22 . . . . 1.0 112.564 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 58.4 mt -97.33 158.37 15.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.451 -0.781 . . . . 1.0 109.258 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -95.73 151.08 19.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.271 -0.893 . . . . 1.0 109.479 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 555' ' ' GLU . 2.0 pp -58.21 -34.26 70.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.375 -0.828 . . . . 1.0 108.998 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.425 ' N ' ' HG ' ' A' ' 554' ' ' LEU . 79.0 mm-40 -66.81 -37.66 84.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.226 -0.921 . . . . 1.0 110.051 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.638 ' O ' ' OG1' ' A' ' 560' ' ' THR . 74.3 t -72.17 -47.88 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.771 -1.206 . . . . 1.0 107.901 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -57.31 -39.9 76.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.629 -0.67 . . . . 1.0 109.225 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.5 -35.74 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 1.0 109.723 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.1 -46.4 43.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.038 . . . . 1.0 109.808 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -62.3 -48.14 81.2 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.63 -0.669 . . . . 1.0 109.784 -179.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.16 -39.66 82.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.202 -0.936 . . . . 1.0 109.614 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.4 98.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.399 -0.813 . . . . 1.0 110.087 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -62.73 -33.38 75.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.088 -1.008 . . . . 1.0 108.641 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.2 -38.13 84.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.51 -0.743 . . . . 1.0 109.684 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . 0.407 HE22 ' C ' ' A' ' 688' ' ' ALA . 45.8 mm-40 -60.55 -31.85 70.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 1.0 109.207 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.56 -45.72 43.58 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.61 87.45 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.6 -49.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.071 -1.252 . . . . 1.0 108.895 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -41.01 92.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.205 -0.934 . . . . 1.0 109.3 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.2 m -62.35 -40.08 95.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.526 -0.734 . . . . 1.0 110.487 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.652 ' O ' ' ND1' ' A' ' 574' ' ' HIS . 27.2 p -67.74 -32.91 73.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.002 -1.061 . . . . 1.0 109.77 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.66 -35.09 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 1.0 109.55 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.31 99.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.997 . . . . 1.0 108.656 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . 0.652 ' ND1' ' O ' ' A' ' 571' ' ' THR . 1.0 OUTLIER -67.66 -42.0 82.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.704 -0.623 . . . . 1.0 109.582 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.65 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 6.0 tp -58.29 -45.07 88.63 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.383 -0.823 . . . . 1.0 109.644 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -33.44 70.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 1.0 109.322 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -72.18 -43.07 65.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 1.0 109.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -66.93 -43.38 83.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 1.0 109.607 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.58 -25.16 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 1.0 109.533 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 582' ' ' ALA . . . -46.21 105.9 0.11 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.409 . . . . 1.0 109.579 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 582' ' ' ALA . 16.3 m 45.55 17.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.252 -1.146 . . . . 1.0 109.584 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 580' ' ' GLY . . . 54.37 102.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 1.0 109.482 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.4 m -58.26 -32.39 68.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.266 -0.896 . . . . 1.0 109.496 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -49.88 166.19 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.39 154.16 70.02 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.843 2.362 . . . . 1.0 112.18 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -51.5 153.54 4.95 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.581 -1.408 . . . . 1.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -73.73 149.57 41.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.527 -1.429 . . . . 1.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.54 155.39 18.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -1.154 . . . . 1.0 109.418 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -50.74 140.4 14.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -0.96 . . . . 1.0 109.444 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 5.6 m -147.97 163.1 37.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -0.915 . . . . 1.0 109.403 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.536 ' HG1' ' N ' ' A' ' 592' ' ' SER . 44.4 p -64.17 -38.88 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 1.0 109.418 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.536 ' N ' ' HG1' ' A' ' 591' ' ' THR . 31.2 t -165.34 150.23 9.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 1.0 109.504 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 52.14 71.15 1.56 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 1.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.0 -28.17 82.12 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.795 2.33 . . . . 1.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -99.82 131.52 45.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 1.0 109.406 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' A' ' 597' ' ' PRO . 3.6 mt-10 -159.08 -60.58 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.312 -0.867 . . . . 1.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.49 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 10.9 Cg_exo -43.92 -42.66 12.31 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.119 1.88 . . . . 1.0 112.889 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 11.9 Cg_exo -72.29 -16.82 27.9 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.01 1.807 . . . . 1.0 112.07 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.82 -43.41 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.843 . . . . 1.0 109.574 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.03 -46.11 90.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.181 -0.949 . . . . 1.0 109.347 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.09 -32.76 73.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.294 -0.879 . . . . 1.0 109.335 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.62 -40.6 97.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 1.0 109.021 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -59.41 -39.25 82.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.338 -0.851 . . . . 1.0 109.579 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.04 71.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 1.0 109.594 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.39 -46.96 71.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.412 -0.805 . . . . 1.0 110.293 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.41 -37.11 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.909 -1.119 . . . . 1.0 109.532 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.88 -32.34 73.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.98 . . . . 1.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.83 40.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.0 109.563 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -63.07 -42.55 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 1.0 109.116 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 57.7 t60 -63.42 -38.36 90.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.028 -1.045 . . . . 1.0 109.821 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -69.45 -45.61 59.4 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.434 -0.889 . . . . 1.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.12 70.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.758 -1.437 . . . . 1.0 110.27 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 2.1 p -69.63 -43.23 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.123 . . . . 1.0 108.35 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.527 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 49.8 t-80 -53.92 -32.47 53.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 1.0 108.79 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -64.83 -30.5 71.5 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.926 -1.139 . . . . 1.0 107.926 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.03 -43.85 73.9 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.403 ' CD1' ' CE2' ' A' ' 650' ' ' TYR . 1.0 OUTLIER -62.3 -40.27 95.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.142 -1.058 . . . . 1.0 108.142 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 621' ' ' ARG . 75.4 mm-40 -72.85 -46.27 53.81 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.184 -0.947 . . . . 1.0 109.401 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.38 -47.27 84.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.03 -1.044 . . . . 1.0 109.129 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.36 88.6 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.167 -0.958 . . . . 1.0 108.642 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 618' ' ' GLU . 0.0 OUTLIER -68.78 -37.43 79.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.691 -0.63 . . . . 1.0 109.767 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.4 m -57.22 -44.5 83.79 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.099 -1.0 . . . . 1.0 109.098 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.331 -0.856 . . . . 1.0 109.694 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.17 -37.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 1.0 109.492 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 57.8 m 51.55 -146.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 1.0 109.694 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 628' ' ' THR . 24.2 m -55.57 -40.69 72.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.33 -0.856 . . . . 1.0 109.92 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 626' ' ' SER . . . 70.07 -13.75 0.41 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.214 -0.929 . . . . 1.0 109.39 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' THR . . . . . 0.528 ' H ' ' C ' ' A' ' 626' ' ' SER . 41.5 p -80.68 -22.98 39.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.314 -0.866 . . . . 1.0 109.432 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -85.2 1.39 48.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.238 -0.914 . . . . 1.0 109.558 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 44.7 m -65.85 131.19 45.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 1.0 109.431 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 83.9 p -64.38 -38.99 92.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 1.0 109.414 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -101.17 123.89 46.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.355 -0.841 . . . . 1.0 109.35 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -82.92 -22.42 33.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.225 -0.922 . . . . 1.0 109.626 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -41.72 96.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.941 . . . . 1.0 109.425 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 635' ' ' LEU . 4.1 mm? -60.05 -46.8 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0 109.356 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -61.39 -46.11 91.51 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.39 74.04 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.849 -0.796 . . . . 1.0 108.849 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . 0.58 ' NZ ' ' CE2' ' A' ' 694' ' ' PHE . 2.6 mtpp -62.85 -44.92 94.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.409 -0.807 . . . . 1.0 108.992 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.84 -46.9 73.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 1.0 109.756 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -63.37 -42.09 98.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.818 . . . . 1.0 109.906 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 -59.77 -46.54 88.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.0 109.756 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.675 HE22 ' HZ1' ' A' ' 645' ' ' LYS . 26.6 tp60 -68.54 -33.83 74.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.0 109.701 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.01 -45.34 85.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 1.0 109.641 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.18 -35.07 76.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 1.0 108.769 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.675 ' HZ1' HE22 ' A' ' 642' ' ' GLN . 32.0 ttpt -63.91 -36.73 84.91 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.2 -1.037 . . . . 1.0 108.2 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.2 mtp -69.58 -37.57 77.02 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -59.7 -49.74 76.56 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.325 -0.991 . . . . 1.0 108.325 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . 0.437 ' O ' ' OG1' ' A' ' 652' ' ' THR . 11.1 t70 -62.85 -41.21 99.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.799 -0.563 . . . . 1.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.57 -37.29 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.0 109.75 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.2 m-85 -62.94 -46.29 88.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0 109.11 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -70.17 -29.42 66.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 1.0 109.561 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 648' ' ' ASP . 86.9 m -57.54 -41.86 81.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.228 -0.92 . . . . 1.0 109.252 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 657' ' ' GLY . 3.4 mt -67.77 -39.81 84.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.351 -0.843 . . . . 1.0 109.084 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . 0.527 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 99.6 t -60.6 -44.22 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.314 -0.866 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.8 t -67.21 -47.2 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.206 -1.035 . . . . 1.0 108.206 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -60.89 -37.08 80.96 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.887 -1.153 . . . . 1.0 107.887 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.19 -47.87 28.12 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.176 -1.57 . . . . 1.0 109.176 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -59.33 -35.29 73.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -1.196 . . . . 1.0 109.222 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.68 -35.0 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.0 109.181 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.451 ' O ' ' CE1' ' A' ' 669' ' ' PHE . 6.2 tt -55.27 -36.36 66.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.485 -0.759 . . . . 1.0 109.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -67.94 123.05 19.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 1.0 109.649 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 89.3 p -60.52 -27.79 67.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 1.0 109.658 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.11 -117.77 11.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -142.29 73.19 1.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.298 -1.119 . . . . 1.0 109.479 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.74 6.34 63.9 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.658 -1.377 . . . . 1.0 109.658 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.48 52.03 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.543 -1.423 . . . . 1.0 109.543 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.0 134.06 48.08 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.875 2.383 . . . . 1.0 112.208 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -92.05 179.05 40.86 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.494 -1.442 . . . . 1.0 109.494 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 35.8 p90 -143.69 163.2 33.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -1.129 . . . . 1.0 109.47 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.529 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 24.7 p -133.38 -178.02 4.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.163 -0.961 . . . . 1.0 109.95 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.45 -24.48 20.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 1.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . 0.529 ' H ' ' HG1' ' A' ' 670' ' ' THR . 54.9 t0 -66.31 -46.95 75.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.186 -0.946 . . . . 1.0 109.358 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.2 -37.22 69.35 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.262 -0.899 . . . . 1.0 109.502 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.34 -35.7 79.93 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.294 -0.879 . . . . 1.0 109.651 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -60.04 -36.22 76.82 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.35 -41.47 73.13 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.78 -48.76 52.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 1.0 108.918 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.24 -31.9 43.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.209 -0.932 . . . . 1.0 108.505 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.85 -46.29 58.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.41 -38.39 87.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.168 -0.958 . . . . 1.0 109.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.622 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -56.17 -33.68 65.47 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -76.17 -28.95 57.53 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.786 -1.196 . . . . 1.0 109.54 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.5 70.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.204 -0.935 . . . . 1.0 111.27 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -58.31 -52.49 74.22 Favored Pre-proline 0 N--CA 1.497 1.919 0 O-C-N 120.867 -1.146 . . . . 1.0 112.117 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.622 ' CD ' ' O ' ' A' ' 681' ' ' SER . 21.6 Cg_endo -62.34 -42.29 28.95 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.813 1.675 . . . . 1.0 113.044 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.84 -42.15 81.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.722 -1.237 . . . . 1.0 108.48 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -75.11 -32.95 61.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.445 -0.785 . . . . 1.0 109.213 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -60.66 -38.77 85.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.121 -0.987 . . . . 1.0 108.766 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -67.06 -36.87 82.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.0 108.796 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.65 -44.44 93.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.16 -35.18 73.06 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.436 -0.95 . . . . 1.0 108.436 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.14 73.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.442 -0.786 . . . . 1.0 109.102 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.3 t -69.84 -40.38 75.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 1.0 109.609 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.58 ' CE2' ' NZ ' ' A' ' 638' ' ' LYS . 3.1 m-85 -61.91 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 1.0 108.89 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.0 mp -64.43 -35.38 80.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.297 -0.877 . . . . 1.0 109.01 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -69.29 -44.44 71.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 1.0 110.34 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.22 -25.67 60.41 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.653 -1.379 . . . . 1.0 109.653 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.419 ' OD1' ' CD1' ' A' ' 702' ' ' LEU . 29.0 p30 -120.19 2.71 10.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.318 -1.107 . . . . 1.0 109.646 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.76 -39.73 59.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 1.0 109.903 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 704' ' ' ARG . 67.0 m -52.42 -34.38 48.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.078 -1.014 . . . . 1.0 108.82 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 8.3 mp -87.58 -41.16 13.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.418 -0.801 . . . . 1.0 110.273 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.419 ' CD1' ' OD1' ' A' ' 698' ' ' ASN . 70.6 mt -55.54 -34.65 64.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.847 -1.158 . . . . 1.0 109.131 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 44.5 m-85 -104.89 -97.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 1.0 109.71 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' A' ' 700' ' ' SER . 96.8 mtt180 -139.95 -101.77 0.16 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.098 -1.001 . . . . 1.0 110.218 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 47.85 51.06 14.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 1.0 109.112 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 19.9 p -96.57 163.97 12.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 1.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -120.45 146.41 46.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.22 -0.925 . . . . 1.0 109.431 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.992 -1.004 . . . . 1.0 109.436 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.799 0 N-CA-C 119.432 2.533 . . . . 1.0 119.432 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 83.2 p -146.89 164.97 31.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -1.162 . . . . 1.0 109.553 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 81.15 63.37 1.88 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.473 -1.451 . . . . 1.0 109.473 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -52.26 -38.31 57.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -1.202 . . . . 1.0 109.406 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.58 158.63 73.0 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.215 -0.928 . . . . 1.0 109.666 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -41.78 148.54 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.771 2.314 . . . . 1.0 112.355 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.04 160.35 15.27 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.373 -0.829 . . . . 1.0 109.328 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -108.37 156.41 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 1.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 20.6 tp -55.79 -40.77 73.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.372 -0.83 . . . . 1.0 109.591 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.72 -43.66 88.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.269 -0.894 . . . . 1.0 110.051 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.13 -44.42 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 107.602 -1.259 . . . . 1.0 107.602 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -59.83 -40.68 89.31 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.753 -0.592 . . . . 1.0 109.744 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -38.96 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.788 -1.195 . . . . 1.0 108.714 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -70.61 -50.6 35.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.419 -0.801 . . . . 1.0 109.736 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.1 t -61.22 -42.8 99.24 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.848 -1.157 . . . . 1.0 109.694 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 560' ' ' THR . 6.3 tp -71.26 -37.84 71.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.016 -1.053 . . . . 1.0 109.309 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . 0.428 ' O ' ' OE1' ' A' ' 566' ' ' GLN . . . -65.9 -41.33 91.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.485 -0.759 . . . . 1.0 109.89 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -61.38 -32.05 71.96 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.065 -1.022 . . . . 1.0 108.69 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 616' ' ' LEU . 3.5 mp -70.68 -37.96 73.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.496 -0.753 . . . . 1.0 109.953 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . 0.474 HE22 ' CB ' ' A' ' 688' ' ' ALA . 32.5 mm-40 -61.66 -31.06 71.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.259 -0.901 . . . . 1.0 109.989 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.44 ' N ' ' NE2' ' A' ' 566' ' ' GLN . 1.4 mp0 -79.22 -47.77 15.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.031 -1.043 . . . . 1.0 108.283 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -64.19 -33.56 87.56 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.735 -1.346 . . . . 1.0 109.735 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 74.9 t -70.48 -48.52 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -1.215 . . . . 1.0 108.94 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.8 m -66.03 -37.37 85.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.343 -0.848 . . . . 1.0 108.921 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 91.4 m -62.74 -42.68 99.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.608 -0.683 . . . . 1.0 110.594 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.621 ' O ' ' ND1' ' A' ' 574' ' ' HIS . 79.8 p -68.81 -35.18 76.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.05 -1.031 . . . . 1.0 110.228 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.37 -35.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.016 -1.052 . . . . 1.0 108.929 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.56 94.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.188 -0.945 . . . . 1.0 108.994 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . 0.649 ' CD2' ' N ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -60.81 -47.39 86.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 1.0 109.393 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 2.2 tt -57.05 -46.97 82.02 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 1.0 109.623 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -31.0 67.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.0 109.369 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -71.77 -36.68 70.44 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.258 -0.901 . . . . 1.0 109.257 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.09 -45.39 63.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 1.0 109.608 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 19.6 m -77.8 -32.16 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 1.0 109.55 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.11 99.73 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.569 -1.413 . . . . 1.0 109.569 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 582' ' ' ALA . 28.5 m -62.98 -35.72 81.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -1.136 . . . . 1.0 109.603 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 581' ' ' SER . . . 61.7 143.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.245 -0.909 . . . . 1.0 109.46 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.1 m -57.87 -35.66 71.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 1.0 109.371 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -171.71 -170.99 36.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -53.09 -27.43 36.65 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.907 2.405 . . . . 1.0 112.304 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 88.65 165.1 40.95 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.83 138.49 16.22 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.563 -1.415 . . . . 1.0 109.563 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -58.62 -47.81 83.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -1.128 . . . . 1.0 109.55 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -172.11 -22.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 1.0 109.391 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.9 m -55.45 -39.98 71.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 1.0 109.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 26.3 p -132.86 152.08 51.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.297 -0.877 . . . . 1.0 109.41 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 48.3 p -92.0 -1.74 57.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.211 -0.931 . . . . 1.0 109.654 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 51.18 67.28 4.41 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 1.0 109.673 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.04 141.16 48.18 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.74 2.293 . . . . 1.0 112.027 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -98.68 61.18 1.33 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.157 -0.964 . . . . 1.0 109.604 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 1.1 tm-20 -93.75 -45.74 0.3 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.879 . . . . 1.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 7.9 Cg_exo -58.86 -45.06 30.95 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.067 1.844 . . . . 1.0 112.824 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 71.5 Cg_endo -82.16 18.78 1.35 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.093 1.862 . . . . 1.0 112.128 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 600' ' ' GLN . 9.6 p -58.64 -43.27 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.47 -0.769 . . . . 1.0 109.916 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . 0.509 ' N ' ' CG1' ' A' ' 599' ' ' VAL . 94.0 mt-30 -64.91 -44.94 87.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 1.0 109.252 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.31 -39.49 90.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.355 -0.841 . . . . 1.0 109.312 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -42.2 58.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.822 . . . . 1.0 109.133 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -64.4 -38.0 89.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.448 -0.782 . . . . 1.0 109.403 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.13 72.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.394 -0.816 . . . . 1.0 109.596 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . 0.624 ' CB ' ' HE2' ' A' ' 574' ' ' HIS . . . -68.36 -47.8 66.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 1.0 110.01 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.15 -36.87 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 1.0 109.502 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.37 99.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 1.0 109.444 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.34 89.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 0.4 OUTLIER -60.76 -41.8 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.258 -0.901 . . . . 1.0 109.321 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.565 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 10.8 t-80 -61.93 -31.61 71.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.233 -0.917 . . . . 1.0 109.405 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -65.16 -45.76 90.43 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 121.519 -0.738 . . . . 1.0 111.439 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.91 78.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.734 -1.45 . . . . 1.0 110.43 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 609' ' ' VAL . 0.0 OUTLIER -72.64 -40.5 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.007 -1.058 . . . . 1.0 108.287 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.489 ' CE1' ' OE2' ' A' ' 618' ' ' GLU . 11.4 t-160 -54.96 -37.42 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 1.0 108.866 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.64 -30.23 71.25 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 564' ' ' LEU . 5.4 tp -70.64 -43.44 69.19 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.506 -0.924 . . . . 1.0 108.506 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.442 ' CD1' ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -61.99 -39.42 92.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.809 -1.182 . . . . 1.0 107.809 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 614' ' ' HIS . 96.6 mt-10 -72.49 -45.26 60.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -0.808 . . . . 1.0 109.358 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.81 -46.48 84.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.157 -0.964 . . . . 1.0 108.799 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -67.35 -39.97 85.8 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.373 -0.973 . . . . 1.0 108.373 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 617' ' ' LEU . 0.0 OUTLIER -69.0 -39.64 79.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.658 -0.651 . . . . 1.0 109.76 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 24.1 t -55.86 -44.02 77.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.174 -0.954 . . . . 1.0 109.036 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.33 84.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -0.789 . . . . 1.0 109.533 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.09 -40.1 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.87 . . . . 1.0 109.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.5 t -56.88 -36.61 70.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 1.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.441 ' O ' ' OG1' ' A' ' 706' ' ' THR . 23.2 t -59.59 -34.77 73.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 1.0 109.099 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -69.98 172.89 7.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 1.0 109.806 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 14.2 t -130.11 155.52 46.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.0 109.615 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -71.6 -26.29 62.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.284 -0.885 . . . . 1.0 109.554 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 28.4 m -54.95 -38.66 68.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.567 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 54.6 p -73.78 158.41 34.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.283 -0.886 . . . . 1.0 109.584 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -149.07 99.6 2.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 1.0 109.29 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -123.15 147.3 46.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 1.0 109.267 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -38.52 91.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 1.0 109.492 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.26 -47.06 86.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 1.0 109.401 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -65.02 -43.54 92.15 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.85 78.06 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.86 84.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.461 -0.774 . . . . 1.0 109.399 178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -46.33 86.83 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 1.0 109.53 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.6 p -59.08 -40.94 86.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 1.0 109.872 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -46.49 90.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.295 -0.878 . . . . 1.0 109.917 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -67.52 -33.35 74.9 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.063 -1.023 . . . . 1.0 110.25 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -44.71 79.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.001 -1.062 . . . . 1.0 109.706 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.66 -31.63 72.54 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 1.0 109.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -63.99 -38.59 91.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.151 -1.055 . . . . 1.0 108.151 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.509 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.1 mtp -69.61 -37.45 76.86 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.481 -0.933 . . . . 1.0 108.481 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -59.63 -50.66 72.99 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.571 0.7 . . . . 1.0 109.381 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.41 -41.83 96.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.614 -0.679 . . . . 1.0 109.713 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.54 -36.86 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 1.0 109.585 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.2 m-30 -57.62 -50.92 71.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 1.0 109.873 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.54 -32.51 74.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 1.0 109.627 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 90.9 m -58.29 -40.83 83.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 1.0 109.186 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.4 -42.48 87.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.277 -0.889 . . . . 1.0 109.327 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . 0.565 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 87.8 t -62.14 -44.11 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.371 -0.831 . . . . 1.0 110.148 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.43 -47.18 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 120.782 -1.199 . . . . 1.0 108.469 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.73 -38.75 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.332 -0.988 . . . . 1.0 108.332 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.13 -45.12 26.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.0 109.545 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -56.07 -37.88 69.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -1.19 . . . . 1.0 109.468 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 662' ' ' SER . 79.3 t -65.83 -36.66 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 1.0 109.249 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.84 -35.51 73.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.0 109.273 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.63 -41.28 76.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.142 -0.974 . . . . 1.0 109.429 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 659' ' ' VAL . 23.9 t -156.27 157.02 35.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.236 -0.915 . . . . 1.0 109.508 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -131.48 77.0 0.4 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -54.06 -37.14 63.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -1.154 . . . . 1.0 109.422 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -53.33 -36.85 54.04 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.456 -1.457 . . . . 1.0 109.456 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 128.93 -172.67 19.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.08 146.03 60.99 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.97 2.447 . . . . 1.0 112.223 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 161.08 -4.95 0.09 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.446 -1.462 . . . . 1.0 109.446 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.456 ' C ' ' HG1' ' A' ' 670' ' ' THR . 0.3 OUTLIER -95.48 124.96 39.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -1.109 . . . . 1.0 109.43 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.456 ' HG1' ' C ' ' A' ' 669' ' ' PHE . 0.0 OUTLIER -154.59 -166.57 2.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 1.0 109.558 -179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.19 -24.85 63.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.878 . . . . 1.0 109.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -63.88 -49.26 73.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.282 -0.886 . . . . 1.0 109.619 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . 0.408 ' CB ' ' CE1' ' A' ' 669' ' ' PHE . 49.2 m-20 -56.99 -36.79 70.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 1.0 109.821 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.51 -34.76 76.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.163 -0.96 . . . . 1.0 109.308 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -60.72 -35.57 76.66 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.43 -1.322 . . . . 1.0 107.43 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.419 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 81.1 mtp180 -71.03 -43.03 68.73 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.5 -46.97 62.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.089 -1.007 . . . . 1.0 108.857 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.0 t -56.82 -30.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.11 61.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 1.0 109.15 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 11.4 m -64.43 -39.48 93.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.258 -0.901 . . . . 1.0 109.26 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.34 -33.86 68.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.51 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -73.83 -27.17 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.701 -1.249 . . . . 1.0 109.613 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.93 76.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -60.69 -54.29 56.03 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.246 -0.909 . . . . 1.0 112.354 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.566 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_endo -62.49 -42.72 25.58 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 121.771 1.647 . . . . 1.0 112.985 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.18 -42.68 93.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.056 -1.027 . . . . 1.0 108.869 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -73.43 -35.2 65.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.422 -0.799 . . . . 1.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . 0.474 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -61.1 -42.14 97.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.871 -1.143 . . . . 1.0 109.019 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.17 -37.95 88.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.427 -0.796 . . . . 1.0 109.987 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.98 -41.87 97.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.107 -0.996 . . . . 1.0 109.971 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.75 -34.62 76.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.954 -1.091 . . . . 1.0 108.859 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.32 69.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.368 -0.832 . . . . 1.0 109.009 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 16.5 m -68.85 -41.18 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 1.0 109.334 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.3 m-30 -65.22 -33.01 74.98 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.43 -37.46 80.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.15 -1.056 . . . . 1.0 108.15 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 4.7 t60 -66.12 -46.76 76.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.515 -0.74 . . . . 1.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.56 -28.43 45.14 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.045 -1.222 . . . . 1.0 110.045 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.8 OUTLIER -109.24 3.07 21.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.922 -1.34 . . . . 1.0 109.597 -179.455 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -59.91 -23.83 63.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.0 109.509 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 18.9 m -69.63 -50.09 47.6 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.125 -0.984 . . . . 1.0 109.325 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.5 tp -103.48 -8.08 20.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 110.591 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 698' ' ' ASN . 32.8 tp -74.08 -27.31 60.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.777 -1.202 . . . . 1.0 108.657 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' A' ' 704' ' ' ARG . 31.7 m-85 -128.88 -63.54 0.96 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.335 -0.853 . . . . 1.0 109.496 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.539 ' C ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER -35.8 -48.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.239 -0.913 . . . . 1.0 109.303 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -120.11 138.93 53.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 1.0 109.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 626' ' ' SER . 0.1 OUTLIER -166.66 100.31 0.58 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 1.0 109.552 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.69 -36.0 71.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 1.0 109.47 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.044 -0.979 . . . . 1.0 109.473 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.861 0 N-CA-C 119.448 2.539 . . . . 1.0 119.448 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 20.8 m -136.95 33.86 2.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.193 -1.181 . . . . 1.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 81.06 30.06 39.45 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.457 -1.457 . . . . 1.0 109.457 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 46.72 74.3 0.15 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.327 -1.102 . . . . 1.0 109.748 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -131.02 78.43 73.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.227 -0.921 . . . . 1.0 109.164 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.73 146.68 75.97 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.405 2.07 . . . . 1.0 112.329 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 48.9 mt -94.94 170.64 9.29 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 1.0 109.293 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -108.25 157.96 17.88 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.41 -38.02 73.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.903 . . . . 1.0 109.122 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.39 -42.56 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.495 -0.753 . . . . 1.0 110.015 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.94 -44.81 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.723 -1.235 . . . . 1.0 107.892 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -62.2 -42.24 99.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.04 -0.726 . . . . 1.0 109.04 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.66 -42.44 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.069 -1.02 . . . . 1.0 108.985 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.65 -49.05 57.45 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.298 -0.876 . . . . 1.0 109.149 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 32.3 m -59.71 -46.11 90.07 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.09 -1.006 . . . . 1.0 110.171 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' A' ' 561' ' ' LEU . 2.9 tm? -57.09 -48.77 77.8 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.067 -1.021 . . . . 1.0 110.034 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.3 95.16 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.258 -0.901 . . . . 1.0 109.845 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.4 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 19.6 mtp-105 -68.64 -38.02 80.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.131 -0.981 . . . . 1.0 109.463 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 5.3 mp -71.05 -37.76 72.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.849 . . . . 1.0 109.175 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -62.52 -31.45 72.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 1.0 110.114 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -78.37 -44.15 25.75 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.144 -0.973 . . . . 1.0 108.787 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . 0.409 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -64.5 -32.0 82.76 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.411 -1.475 . . . . 1.0 109.411 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.11 -50.14 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.104 -1.233 . . . . 1.0 108.842 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.7 t -67.62 -38.94 84.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.278 -0.889 . . . . 1.0 108.963 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 93.6 m -62.48 -43.98 97.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.453 -0.78 . . . . 1.0 110.117 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 67.4 p -68.31 -32.85 73.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.0 109.832 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.8 -39.47 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.922 . . . . 1.0 109.471 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.42 81.45 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.052 -1.03 . . . . 1.0 108.303 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -58.85 -49.02 79.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.615 -0.678 . . . . 1.0 109.53 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 60.8 tp -56.77 -45.53 82.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.408 -0.808 . . . . 1.0 109.505 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.55 -41.12 69.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 1.0 109.295 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -57.7 -41.32 81.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.268 -0.895 . . . . 1.0 108.894 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.12 -37.23 85.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.387 -0.821 . . . . 1.0 109.303 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.91 -37.77 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.28 -0.888 . . . . 1.0 109.424 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -52.08 -35.74 42.01 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.506 -1.438 . . . . 1.0 109.506 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 69.9 m -85.57 5.03 33.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -1.162 . . . . 1.0 109.494 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -61.3 149.96 36.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 1.0 109.477 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.6 t -66.06 151.47 46.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.242 -0.911 . . . . 1.0 109.524 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -139.06 -167.25 10.88 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.588 -1.405 . . . . 1.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -51.81 145.81 30.34 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.846 2.364 . . . . 1.0 112.127 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -85.44 70.39 3.09 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 1.0 109.552 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.29 -33.4 58.18 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 589' ' ' ARG . 95.1 m95 -114.12 154.52 27.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -1.153 . . . . 1.0 109.458 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 588' ' ' TRP . 58.4 ttp180 55.33 104.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 1.0 109.523 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 78.3 p -68.9 173.06 5.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 1.0 109.574 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 4.5 m 57.24 48.74 14.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 1.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -70.57 166.21 21.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 1.0 109.763 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 593' ' ' GLU . 2.6 mm-40 -70.54 152.44 95.37 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.252 -0.905 . . . . 1.0 109.218 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 595' ' ' GLN . 41.9 Cg_endo -69.56 -178.27 2.19 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.357 2.038 . . . . 1.0 111.951 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 594' ' ' PRO . 82.9 mt-30 -60.0 -113.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 1.0 109.326 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 47.24 66.08 6.12 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 1.0 110.194 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -84.73 162.93 12.25 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.717 2.278 . . . . 1.0 112.126 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.28 95.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.477 2.118 . . . . 1.0 112.136 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.8 -41.5 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.296 -0.878 . . . . 1.0 109.921 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -54.45 -48.28 71.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 1.0 109.338 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -58.56 -32.71 69.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 1.0 109.445 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.51 -39.92 51.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.288 -0.882 . . . . 1.0 109.317 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -60.68 -37.66 82.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.459 -0.776 . . . . 1.0 109.68 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.41 76.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 1.0 110.091 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.3 63.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.225 -0.922 . . . . 1.0 110.227 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 4.4 p -70.05 -37.77 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.97 -1.081 . . . . 1.0 109.737 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -63.38 -41.87 98.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 1.0 110.091 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.26 95.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 1.0 110.073 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.2 -45.77 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.99 -1.069 . . . . 1.0 109.146 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -60.79 -37.28 81.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 1.0 109.302 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -68.15 -45.87 68.67 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 110.128 -1.189 . . . . 1.0 110.128 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.22 82.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.063 -1.257 . . . . 1.0 109.69 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.461 ' CG2' ' OH ' ' A' ' 650' ' ' TYR . 45.5 t -67.26 -44.25 87.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.129 -0.982 . . . . 1.0 108.75 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -53.99 -35.96 62.4 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.507 -0.923 . . . . 1.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.72 -35.67 73.04 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.69 -34.55 74.1 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.717 -0.846 . . . . 1.0 108.717 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.2 -46.36 34.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.776 -0.578 . . . . 1.0 111.003 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -72.48 -46.76 53.3 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.74 -1.225 . . . . 1.0 110.95 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.738 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -68.15 -41.24 81.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.78 -1.2 . . . . 1.0 109.027 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . 0.738 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.68 -40.27 95.1 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -58.6 -37.35 75.64 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.368 -0.975 . . . . 1.0 108.368 178.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' SER . . . . . 0.628 ' HG ' ' N ' ' A' ' 623' ' ' ALA . 25.0 p -60.66 -37.67 82.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.541 -0.911 . . . . 1.0 108.541 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.628 ' N ' ' HG ' ' A' ' 622' ' ' SER . . . -61.92 -39.32 91.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.39 -0.819 . . . . 1.0 109.192 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.02 -42.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 1.0 109.078 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 84.9 p -61.86 -33.7 74.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.292 -0.88 . . . . 1.0 109.77 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 702' ' ' LEU . 87.0 p -81.81 -7.21 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.423 ' C ' ' HG1' ' A' ' 628' ' ' THR . . . -77.43 -139.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.736 -0.602 . . . . 1.0 110.071 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' THR . . . . . 0.423 ' HG1' ' C ' ' A' ' 627' ' ' ALA . 0.0 OUTLIER 53.9 100.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 1.0 109.672 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -167.92 -8.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.145 -0.972 . . . . 1.0 109.568 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.556 ' C ' ' H ' ' A' ' 632' ' ' ASP . 3.9 t -143.32 -167.12 2.48 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 1.0 109.609 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 632' ' ' ASP . 58.5 m -72.23 22.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 1.0 109.499 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' A' ' 630' ' ' THR . 87.6 m-20 51.89 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.89 . . . . 1.0 109.466 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -70.32 174.79 5.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.0 109.518 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.707 ' HG1' ' HZ3' ' A' ' 638' ' ' LYS . 68.2 p -60.44 -25.33 65.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.25 -0.906 . . . . 1.0 110.084 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.39 -44.52 80.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.122 -0.986 . . . . 1.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.79 -46.07 91.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.056 -1.028 . . . . 1.0 108.385 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.08 77.62 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . 0.707 ' HZ3' ' HG1' ' A' ' 634' ' ' THR . 0.3 OUTLIER -64.49 -44.17 91.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.6 -0.688 . . . . 1.0 109.828 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 1.0 110.328 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.0 m -64.94 -41.19 95.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.247 -0.908 . . . . 1.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 641' ' ' ARG . 0.2 OUTLIER -61.97 -46.02 91.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.807 -1.183 . . . . 1.0 110.256 -179.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.521 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 89.6 mt-30 -76.59 -38.58 54.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.029 -1.044 . . . . 1.0 110.217 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.35 -48.28 65.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.012 -1.055 . . . . 1.0 110.036 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.21 -34.99 78.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 1.0 109.293 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -61.59 -36.65 81.28 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.591 -1.262 . . . . 1.0 107.591 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.88 -32.45 72.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.375 -0.972 . . . . 1.0 108.375 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -74.42 -44.59 51.21 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.592 0.71 . . . . 1.0 109.224 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -60.87 -43.27 98.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 31.2 m -67.95 -43.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.317 -0.864 . . . . 1.0 109.822 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.461 ' OH ' ' CG2' ' A' ' 613' ' ' VAL . 0.1 OUTLIER -61.16 -35.53 77.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.925 -1.11 . . . . 1.0 109.937 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.54 -33.62 71.35 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.911 -1.118 . . . . 1.0 109.424 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.519 ' O ' ' CD2' ' A' ' 656' ' ' HIS . 71.6 p -73.16 -35.76 66.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 1.0 109.058 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.55 -34.51 72.32 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.393 -0.817 . . . . 1.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 72.2 t -60.57 -44.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.18 -0.95 . . . . 1.0 109.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.7 -43.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.923 -1.111 . . . . 1.0 108.722 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 652' ' ' THR . 53.2 m-70 -63.59 -40.98 98.35 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.87 -38.71 40.88 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 7.1 mm-40 -55.82 -29.41 59.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.599 -1.53 . . . . 1.0 109.407 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.9 t -63.11 -39.49 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.308 -0.87 . . . . 1.0 109.639 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.25 -36.54 73.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.134 -0.979 . . . . 1.0 109.721 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 662' ' ' SER . 65.6 t0 -76.52 133.48 39.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -0.92 . . . . 1.0 109.655 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 661' ' ' ASP . 1.3 p 74.76 126.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.24 -0.912 . . . . 1.0 109.529 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -157.23 108.44 0.36 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -54.87 -38.37 67.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.299 -1.118 . . . . 1.0 109.494 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 143.21 -32.39 1.88 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.687 -1.365 . . . . 1.0 109.687 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -62.55 -171.83 1.46 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.47 140.25 28.11 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.053 2.502 . . . . 1.0 112.444 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -152.53 -95.54 0.12 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 669' ' ' PHE . 21.2 p90 -137.6 168.76 19.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -1.164 . . . . 1.0 109.471 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.421 ' OG1' ' OE1' ' A' ' 595' ' ' GLN . 12.4 t -138.59 174.55 10.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.144 -0.973 . . . . 1.0 110.2 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . 0.41 ' N ' ' HG1' ' A' ' 670' ' ' THR . 88.4 mt -51.98 -24.21 6.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 1.0 109.62 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -67.99 -46.09 72.3 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.304 -0.872 . . . . 1.0 108.697 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.1 -36.02 72.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.58 -0.7 . . . . 1.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 674' ' ' LEU . 4.2 mm? -64.37 -34.41 78.1 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.328 -0.858 . . . . 1.0 108.975 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.79 -34.65 74.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.906 -1.516 . . . . 1.0 106.906 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -71.59 -43.23 66.63 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.06 -46.69 61.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 1.0 108.561 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.97 -32.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.52 68.05 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.7 m -65.95 -35.65 81.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.284 -0.885 . . . . 1.0 109.189 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.641 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -59.22 -35.52 73.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.848 . . . . 1.0 110.546 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -77.77 -29.24 50.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.773 -1.205 . . . . 1.0 110.221 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.7 -47.34 63.54 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.04 -1.037 . . . . 1.0 111.527 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.554 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -57.54 -51.82 78.9 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 120.932 -1.105 . . . . 1.0 112.43 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.641 ' CD ' ' O ' ' A' ' 681' ' ' SER . 14.8 Cg_endo -59.12 -42.53 50.04 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 121.834 1.689 . . . . 1.0 112.634 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -74.9 -29.5 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.748 . . . . 1.0 109.137 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.01 90.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 1.0 108.765 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -64.67 -42.77 95.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.465 -0.772 . . . . 1.0 109.149 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -67.6 -40.65 84.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.9 . . . . 1.0 108.811 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.23 -36.52 77.9 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.676 -0.861 . . . . 1.0 108.676 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . 0.515 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.19 -37.61 77.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 1.0 109.514 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 27.6 t -64.98 -37.72 88.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.958 . . . . 1.0 109.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.521 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 2.7 m-85 -66.25 -39.06 89.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 1.0 109.23 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -60.82 -37.8 83.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.092 -1.005 . . . . 1.0 108.696 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 50.5 m80 -66.08 -44.08 85.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 1.0 110.501 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -61.89 -24.6 64.86 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.924 -1.27 . . . . 1.0 109.924 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.637 ' N ' ' ND2' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.38 4.77 13.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -1.181 . . . . 1.0 109.702 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -50.75 -39.29 51.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.122 -0.986 . . . . 1.0 109.162 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.0 t -50.79 -38.53 48.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.396 -0.815 . . . . 1.0 110.417 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 28.6 tp -89.57 -41.95 11.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.953 -1.092 . . . . 1.0 111.105 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.444 ' O ' ' OG ' ' A' ' 626' ' ' SER . 59.5 mt -52.84 -34.08 52.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.669 -1.27 . . . . 1.0 108.253 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 4.7 m-85 -123.57 -72.8 0.66 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.503 -0.748 . . . . 1.0 109.272 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 29.0 ttt-85 75.53 106.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.05 . . . . 1.0 109.789 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 143.89 57.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.0 109.451 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 708' ' ' ALA . 0.1 OUTLIER -131.95 0.25 3.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.0 109.437 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 53.52 -86.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 1.0 109.396 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 706' ' ' THR . . . . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.091 -0.957 . . . . 1.0 109.554 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.842 0 N-CA-C 119.399 2.52 . . . . 1.0 119.399 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 66.8 m 47.13 29.21 1.09 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.203 -1.175 . . . . 1.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.4 32.77 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -147.93 156.97 43.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -1.102 . . . . 1.0 109.455 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.01 153.29 60.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.45 -164.99 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.533 2.155 . . . . 1.0 112.371 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.98 -178.57 1.62 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.413 -0.804 . . . . 1.0 109.27 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 553' ' ' GLU . 49.2 mp0 -106.61 155.17 19.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.0 109.183 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.58 -36.59 71.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.267 -0.896 . . . . 1.0 110.178 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.11 -39.55 92.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.986 -1.072 . . . . 1.0 110.395 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.48 -43.9 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 1.0 107.72 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.99 97.89 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.321 -0.992 . . . . 1.0 108.321 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.4 -42.1 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.46 -0.775 . . . . 1.0 109.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.4 -49.22 44.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 1.0 109.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 23.9 m -60.9 -43.47 98.46 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.123 -0.986 . . . . 1.0 109.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 561' ' ' LEU . 2.6 tm? -56.01 -48.91 75.04 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.055 -1.028 . . . . 1.0 108.591 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.98 91.67 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.534 -0.729 . . . . 1.0 109.074 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -62.56 -37.65 86.99 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.36 -0.838 . . . . 1.0 108.926 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.477 ' CD2' ' CD1' ' A' ' 619' ' ' PHE . 3.3 mp -68.51 -38.2 80.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.503 -0.748 . . . . 1.0 109.664 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -64.07 -28.4 69.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 1.0 110.026 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.49 -47.67 16.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.125 -0.984 . . . . 1.0 108.727 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -63.28 -34.06 88.93 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.426 -1.47 . . . . 1.0 109.426 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 77.2 t -72.19 -49.73 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -1.19 . . . . 1.0 108.674 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 26.5 t -66.17 -40.48 90.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0 109.084 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 65.9 m -63.24 -42.51 99.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.495 -0.753 . . . . 1.0 110.28 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 41.1 p -68.2 -37.7 81.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.15 -0.969 . . . . 1.0 109.663 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 42.7 t -70.21 -40.76 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.862 . . . . 1.0 109.144 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.94 84.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 1.0 109.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -58.9 -51.76 68.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 1.0 109.71 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.48 -45.7 84.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 1.0 109.657 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.65 -29.61 70.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0 109.487 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.2 -35.43 71.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.171 -0.956 . . . . 1.0 109.306 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.73 -35.24 79.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 1.0 109.744 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 582' ' ' ALA . 62.0 t -56.24 -40.33 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.094 -1.004 . . . . 1.0 109.645 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -57.95 -38.36 88.66 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.74 -1.344 . . . . 1.0 109.74 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 p -96.05 10.61 36.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.15 -1.206 . . . . 1.0 109.604 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 579' ' ' VAL . . . -138.02 158.96 43.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 1.0 109.62 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 582' ' ' ALA . 10.5 p 56.08 104.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 1.0 109.444 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -69.6 166.28 49.11 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.518 -1.433 . . . . 1.0 109.518 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -28.95 84.3 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.758 2.305 . . . . 1.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 143.57 173.4 15.07 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.522 -1.431 . . . . 1.0 109.522 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 82.44 -161.18 40.64 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -99.5 139.94 34.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -1.17 . . . . 1.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -163.15 109.01 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 1.0 109.421 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 46.8 m -63.57 -35.43 80.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.925 . . . . 1.0 109.403 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 25.2 m -54.82 -39.43 68.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 1.0 109.537 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.1 t -102.34 138.23 39.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 1.0 109.549 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.3 156.06 66.3 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.224 -0.923 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.48 -15.97 38.46 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.712 2.274 . . . . 1.0 112.216 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -123.66 -147.98 0.39 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.152 -0.968 . . . . 1.0 109.474 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -126.77 78.99 72.71 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.16 -0.963 . . . . 1.0 110.111 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.419 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 17.0 Cg_exo -55.55 -43.27 59.56 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 121.963 1.776 . . . . 1.0 113.689 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 91.7 Cg_endo -83.95 65.84 7.16 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 121.827 1.685 . . . . 1.0 112.002 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.48 -33.53 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 1.0 109.589 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -57.29 -43.44 83.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.275 -0.89 . . . . 1.0 108.991 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -60.32 -42.85 96.46 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.422 -0.799 . . . . 1.0 109.264 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 -41.71 43.32 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.382 -0.824 . . . . 1.0 109.421 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -59.86 -39.73 86.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -0.864 . . . . 1.0 109.701 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.15 69.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.223 -0.923 . . . . 1.0 109.769 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.33 70.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 1.0 110.08 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.5 -36.06 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.972 -1.08 . . . . 1.0 109.723 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.88 77.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.962 . . . . 1.0 109.957 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.6 -50.71 41.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.0 110.103 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 1.2 p -60.2 -41.13 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 1.0 109.382 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.624 ' HE2' ' CB ' ' A' ' 653' ' ' LEU . 9.0 m80 -61.23 -38.08 85.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 1.0 109.39 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -72.42 -43.65 44.74 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.591 -1.404 . . . . 1.0 109.591 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.42 73.44 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.074 -1.251 . . . . 1.0 109.307 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 1.6 p -67.01 -45.38 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 1.0 109.001 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.579 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 51.5 t-80 -53.79 -30.76 46.23 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 1.0 108.693 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -27.05 64.45 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.9 tt -70.56 -33.01 70.64 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.597 -1.26 . . . . 1.0 107.597 177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.08 -37.82 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -72.16 -50.63 26.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.156 -0.965 . . . . 1.0 109.796 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.732 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -65.45 -39.69 92.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 1.0 109.297 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . 0.732 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.47 -39.42 91.96 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.572 -1.27 . . . . 1.0 107.572 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -35.87 78.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.3 t -59.42 -38.82 81.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 108.998 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 1.0 110.112 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.74 -39.27 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.354 -0.841 . . . . 1.0 109.969 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 48.5 m -60.74 156.57 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.909 -1.119 . . . . 1.0 109.184 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 626' ' ' SER . 0.0 OUTLIER 56.92 16.37 2.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.524 -0.735 . . . . 1.0 109.769 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -70.72 -81.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 1.0 109.268 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 11.9 p -129.17 162.8 26.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.0 109.567 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.64 -85.55 0.22 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 1.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 48.1 p -117.89 11.76 13.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.246 -0.909 . . . . 1.0 109.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 18.0 t -57.52 -34.45 69.12 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.224 -0.923 . . . . 1.0 109.424 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 51.95 45.59 28.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.204 -0.935 . . . . 1.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -64.21 151.18 44.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.214 -0.929 . . . . 1.0 109.417 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 44.1 p -64.28 -27.69 69.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.0 109.479 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.83 -45.63 85.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 1.0 109.566 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -63.84 -42.92 97.49 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.32 76.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.745 -0.835 . . . . 1.0 108.745 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -47.05 79.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.427 -0.796 . . . . 1.0 109.554 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.03 -46.88 79.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.246 -0.909 . . . . 1.0 109.605 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 94.9 p -63.74 -36.09 82.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.23 -0.919 . . . . 1.0 109.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.56 -47.45 85.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.272 -0.893 . . . . 1.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 90.5 mt-30 -71.88 -41.6 67.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.295 -0.878 . . . . 1.0 110.014 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.14 -48.27 71.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.259 -0.901 . . . . 1.0 109.816 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -60.04 -32.2 70.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.961 . . . . 1.0 108.901 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -62.46 -36.85 83.75 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 44.8 mmm -69.83 -38.27 76.47 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -60.74 -50.14 74.67 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 1.0 108.739 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.69 -42.44 86.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.766 -0.584 . . . . 1.0 109.812 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.06 -40.03 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 1.0 110.068 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.49 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.2 m-85 -58.17 -41.59 84.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 1.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.72 -32.05 72.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.094 -1.004 . . . . 1.0 109.332 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 59.4 m -57.8 -41.91 83.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.624 ' CB ' ' HE2' ' A' ' 610' ' ' HIS . 1.3 mt -67.25 -38.67 85.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.344 -0.848 . . . . 1.0 109.701 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.87 -43.73 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.075 -1.016 . . . . 1.0 109.195 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.44 -47.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -38.34 78.22 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.5 -47.24 22.46 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.429 -1.468 . . . . 1.0 109.429 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -57.0 -37.41 71.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.165 -1.197 . . . . 1.0 109.64 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.35 -31.35 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 1.0 109.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.555 ' O ' ' CE2' ' A' ' 669' ' ' PHE . 5.4 tt -55.78 -31.75 62.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 1.0 109.373 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -65.71 120.51 13.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 82.0 p -95.19 161.75 13.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.183 -0.948 . . . . 1.0 109.521 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -144.82 -169.65 13.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -54.74 -38.8 67.58 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 1.0 109.444 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -90.73 -175.18 44.35 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.621 -1.392 . . . . 1.0 109.621 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -139.3 71.73 0.44 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.597 -1.401 . . . . 1.0 109.597 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -53.13 -28.44 41.35 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.049 2.499 . . . . 1.0 112.49 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 141.86 99.47 0.35 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.489 -1.444 . . . . 1.0 109.489 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 660' ' ' LEU . 0.9 OUTLIER -170.59 109.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -1.167 . . . . 1.0 109.452 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.589 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 27.2 p -136.04 -178.07 4.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -1.0 . . . . 1.0 110.12 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . 0.588 ' H ' ' CD2' ' A' ' 671' ' ' LEU . 0.1 OUTLIER -55.26 -24.11 26.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 1.0 109.783 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . 0.589 ' H ' ' HG1' ' A' ' 670' ' ' THR . 61.3 t0 -62.42 -47.79 82.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.225 -0.922 . . . . 1.0 109.128 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.59 -34.17 66.92 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.327 -0.858 . . . . 1.0 109.394 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.6 -39.45 88.18 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.139 -0.976 . . . . 1.0 109.392 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.67 -35.92 77.44 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.276 -1.379 . . . . 1.0 107.276 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.33 -38.51 63.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 677' ' ' LEU . 2.9 tm? -69.12 -49.86 53.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 1.0 108.476 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.56 -30.88 27.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 107.962 -1.125 . . . . 1.0 107.962 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.7 65.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.533 -0.729 . . . . 1.0 109.16 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 56.6 m -63.56 -40.44 97.01 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.151 -0.968 . . . . 1.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.595 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 8.4 t -57.35 -33.24 67.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.34 -0.85 . . . . 1.0 111.297 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -28.26 60.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.287 -1.508 . . . . 1.0 110.128 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.61 -39.07 74.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 1.0 111.242 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -60.91 -53.07 67.64 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.019 -1.051 . . . . 1.0 111.991 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.595 ' CD ' ' O ' ' A' ' 681' ' ' SER . 20.1 Cg_endo -61.78 -42.9 28.79 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.95 1.766 . . . . 1.0 112.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.86 -43.09 80.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.0 108.624 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . 0.476 ' OD2' ' SD ' ' A' ' 646' ' ' MET . 51.4 t0 -72.3 -34.8 68.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 1.0 109.641 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.47 93.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.125 -0.984 . . . . 1.0 108.728 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -66.89 -41.48 87.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.559 -0.713 . . . . 1.0 109.383 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.76 -43.3 84.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.269 -0.894 . . . . 1.0 108.822 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.04 -33.21 68.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -66.85 -32.11 73.16 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 29.0 m -67.23 -42.19 84.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -0.829 . . . . 1.0 109.311 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.0 m-85 -65.1 -37.8 88.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 1.0 108.852 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 699' ' ' ALA . 12.4 mt -64.02 -36.44 84.01 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.201 -0.937 . . . . 1.0 108.539 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -68.86 -48.64 62.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.564 -0.71 . . . . 1.0 110.189 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -57.17 -25.43 54.14 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.898 -1.281 . . . . 1.0 109.898 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 698' ' ' ASN . 0.4 OUTLIER -118.1 2.21 12.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -1.186 . . . . 1.0 109.502 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -53.53 -36.07 61.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 1.0 109.756 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 90.4 p -50.92 -35.92 35.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 1.0 109.772 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 10.2 mp -87.23 -43.12 12.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.077 -1.014 . . . . 1.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.14 -36.45 40.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.951 -1.093 . . . . 1.0 108.93 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.3 m-85 -118.32 -70.8 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 32.5 ttt180 72.95 101.93 0.07 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.651 -0.656 . . . . 1.0 109.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -72.3 148.87 44.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.846 . . . . 1.0 109.257 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.12 112.65 11.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 1.0 109.471 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 47.5 mttp 46.22 -156.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 1.0 109.454 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.047 -0.978 . . . . 1.0 109.444 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.456 2.542 . . . . 1.0 119.456 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 29.5 t -140.75 149.32 41.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.139 -1.213 . . . . 1.0 109.554 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 151.01 53.54 0.01 OUTLIER Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -57.79 -32.21 67.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -1.163 . . . . 1.0 109.419 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -128.31 80.16 72.82 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.136 -0.977 . . . . 1.0 110.244 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -62.49 159.2 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.728 2.285 . . . . 1.0 112.61 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 39.5 mt -98.07 137.33 37.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.28 -0.887 . . . . 1.0 109.326 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -98.86 178.94 4.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.423 -0.798 . . . . 1.0 108.914 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.405 ' H ' HD13 ' A' ' 554' ' ' LEU . 6.3 mp -56.33 -41.45 76.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.344 -0.848 . . . . 1.0 110.465 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.65 -44.88 96.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.115 -0.99 . . . . 1.0 110.702 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.406 ' O ' ' OG1' ' A' ' 560' ' ' THR . 99.6 t -65.73 -45.47 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.787 -1.196 . . . . 1.0 107.955 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -63.93 -40.66 96.97 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.576 -0.702 . . . . 1.0 109.32 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.44 -43.71 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 1.0 109.239 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.56 -48.69 46.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.181 -0.949 . . . . 1.0 109.354 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 18.8 m -59.98 -42.69 94.73 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.062 -1.024 . . . . 1.0 110.336 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.439 ' CD2' ' C ' ' A' ' 561' ' ' LEU . 7.7 tt -58.67 -48.37 81.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.957 -1.089 . . . . 1.0 109.985 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.6 83.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 1.0 110.638 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -61.44 -40.72 95.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 1.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.05 -37.66 69.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.075 -1.016 . . . . 1.0 109.302 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -60.9 -30.27 70.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.428 -0.795 . . . . 1.0 110.808 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -77.53 -41.44 39.17 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.865 -1.147 . . . . 1.0 109.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . 0.414 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -58.77 -33.4 72.79 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.167 -1.573 . . . . 1.0 109.167 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.07 -48.58 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.101 -1.235 . . . . 1.0 108.726 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.5 p -66.02 -42.89 89.07 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.368 -0.833 . . . . 1.0 109.028 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.1 m -62.27 -42.48 99.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.445 -0.784 . . . . 1.0 110.207 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 51.6 p -68.04 -33.28 74.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.074 -1.016 . . . . 1.0 109.75 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.1 -38.53 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.162 -0.962 . . . . 1.0 109.247 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.89 -41.53 91.82 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.164 -0.96 . . . . 1.0 108.467 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -58.81 -50.66 73.13 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.703 -0.623 . . . . 1.0 109.594 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . 0.408 ' C ' ' CD2' ' A' ' 575' ' ' LEU . 6.7 tt -57.89 -48.97 78.29 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.432 -0.792 . . . . 1.0 109.663 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.79 -41.02 72.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 1.0 109.62 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 573' ' ' ALA . 95.5 m-20 -60.71 -41.6 95.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 1.0 109.524 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.07 -42.7 84.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 1.0 109.665 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.55 -35.56 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 1.0 109.491 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -51.3 -29.74 23.39 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 84.5 p -63.06 -21.86 66.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -1.126 . . . . 1.0 109.438 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.16 77.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.26 -0.9 . . . . 1.0 109.479 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 580' ' ' GLY . 84.4 p -146.08 159.5 43.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 1.0 109.516 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -110.51 165.32 12.23 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.566 -1.414 . . . . 1.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -63.16 -23.59 73.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.826 2.351 . . . . 1.0 112.171 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -69.06 146.19 44.23 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.614 -1.394 . . . . 1.0 109.614 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -83.37 9.46 61.36 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.528 -1.429 . . . . 1.0 109.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . 0.522 ' CE2' ' O ' ' A' ' 589' ' ' ARG . 0.3 OUTLIER -65.89 144.1 57.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -1.156 . . . . 1.0 109.387 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.522 ' O ' ' CE2' ' A' ' 588' ' ' TRP . 70.3 mtm180 -108.16 140.28 41.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.269 -0.895 . . . . 1.0 109.311 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 31.0 t -108.44 143.29 37.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.247 -0.908 . . . . 1.0 109.509 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 592' ' ' SER . 8.9 t -74.74 163.27 27.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.137 -0.977 . . . . 1.0 109.492 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 591' ' ' THR . 1.6 m 48.63 94.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 1.0 109.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 61.2 33.15 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.249 -0.907 . . . . 1.0 109.444 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.96 -4.7 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.728 2.285 . . . . 1.0 112.208 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 45.84 -115.11 0.51 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 1.0 109.581 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 48.4 mt-10 52.19 50.84 8.78 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.183 -0.948 . . . . 1.0 110.245 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 29.9 Cg_endo -66.51 163.57 32.05 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 C-N-CA 122.379 2.053 . . . . 1.0 111.909 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.66 128.37 23.72 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.45 2.1 . . . . 1.0 112.124 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 603' ' ' LYS . 75.2 t -68.02 -34.53 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 1.0 109.665 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -58.76 -44.7 90.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.189 -0.944 . . . . 1.0 109.459 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.25 -45.72 92.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.316 -0.865 . . . . 1.0 109.121 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -43.25 58.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.416 -0.803 . . . . 1.0 109.008 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 661' ' ' ASP . 72.8 tttt -61.1 -38.53 86.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.384 -0.823 . . . . 1.0 109.443 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.76 76.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 1.0 109.843 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.19 80.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.0 110.258 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.494 ' CG2' ' NE2' ' A' ' 610' ' ' HIS . 8.0 p -70.09 -36.49 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 1.0 109.843 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.96 -33.57 76.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.157 -0.965 . . . . 1.0 109.742 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.46 -51.4 43.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 1.0 110.342 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.7 OUTLIER -59.53 -38.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 1.0 109.713 -179.139 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.541 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 6.4 m-70 -65.45 -30.08 70.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 1.0 109.133 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -75.55 -46.01 16.24 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 110.078 -1.209 . . . . 1.0 110.078 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.67 74.33 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.951 -1.323 . . . . 1.0 109.554 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.551 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 3.0 p -63.93 -43.58 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.0 109.189 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.551 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 13.7 m80 -55.33 -30.39 60.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.926 . . . . 1.0 108.933 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -63.91 -33.62 76.12 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.918 -1.142 . . . . 1.0 107.918 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -41.36 71.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 28.7 tp -76.99 -37.91 54.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.933 -0.479 . . . . 1.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.12 -46.57 56.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.88 -1.137 . . . . 1.0 111.706 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.3 OUTLIER -65.25 -45.3 85.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.481 -1.387 . . . . 1.0 108.959 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . 0.669 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.305 -0.872 . . . . 1.0 109.814 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -63.19 -35.86 81.72 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.57 -1.331 . . . . 1.0 108.362 178.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 619' ' ' PHE . 29.3 p -60.09 -33.41 72.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.693 -1.225 . . . . 1.0 107.693 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.55 84.28 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.168 -0.679 . . . . 1.0 109.168 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.73 -41.76 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 17.9 t -58.77 -40.09 82.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.0 109.628 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 50.8 m -62.56 -33.42 74.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.574 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -53.29 143.89 17.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.0 109.555 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 64.6 m -100.48 143.74 30.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 1.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -74.82 137.75 42.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 1.0 109.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 631' ' ' SER . 0.5 OUTLIER -140.15 -80.43 0.28 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 1.0 109.371 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.499 ' N ' ' OG1' ' A' ' 630' ' ' THR . 2.9 t -144.6 45.95 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 1.0 109.43 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 52.2 50.38 18.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.87 . . . . 1.0 109.473 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -47.61 152.89 0.62 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 1.0 109.55 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 73.1 p -60.7 -37.99 83.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 1.0 109.84 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.662 ' CD2' ' H ' ' A' ' 635' ' ' LEU . 0.1 OUTLIER -59.44 -49.38 78.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.875 . . . . 1.0 109.649 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 640' ' ' SER . 39.2 t-80 -59.26 -38.18 79.44 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . 0.562 ' CB ' HH21 ' A' ' 641' ' ' ARG . . . -66.11 -51.29 59.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.431 -0.951 . . . . 1.0 108.431 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -60.5 -39.57 88.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.507 -0.745 . . . . 1.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 1.8 tt -79.04 -46.21 18.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 1.0 109.649 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 636' ' ' HIS . 66.3 m -58.9 -46.46 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 1.0 109.796 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . 0.562 HH21 ' CB ' ' A' ' 637' ' ' ALA . 19.5 ptp180 -64.37 -41.67 96.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.282 -0.886 . . . . 1.0 110.378 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.501 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 61.1 tt0 -73.97 -30.43 62.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 1.0 109.981 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.01 -50.62 47.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.374 -0.829 . . . . 1.0 110.25 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.48 -38.31 90.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.205 -0.934 . . . . 1.0 109.276 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -36.23 83.73 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.91 -1.145 . . . . 1.0 107.91 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 2.2 ttm -68.11 -38.78 82.64 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.88 -51.44 69.27 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.718 0.77 . . . . 1.0 109.064 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -57.73 -39.83 78.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.586 -0.696 . . . . 1.0 109.646 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.61 -42.97 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.42 -0.8 . . . . 1.0 110.33 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -58.22 -41.74 84.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.93 -1.106 . . . . 1.0 109.943 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.08 -32.7 70.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 1.0 109.104 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 71.2 m -58.6 -42.04 87.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 -35.8 81.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.383 -0.823 . . . . 1.0 109.546 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 658' ' ' GLN . 91.6 t -60.61 -43.82 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.228 -0.92 . . . . 1.0 109.385 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.81 -46.1 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 1.0 108.474 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.58 -38.5 87.77 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 107.758 -1.201 . . . . 1.0 107.758 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.42 -39.0 43.79 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.5 mm-40 -54.49 -27.01 34.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -1.198 . . . . 1.0 109.615 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 65.1 t -62.16 -38.83 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 1.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.32 70.8 0.61 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.31 -0.868 . . . . 1.0 108.989 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 662' ' ' SER . 55.4 t0 -170.4 -129.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.555 -0.716 . . . . 1.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.53 ' H ' ' CG ' ' A' ' 661' ' ' ASP . 60.7 p -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.15 -0.969 . . . . 1.0 109.58 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 146.03 122.12 1.42 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.544 -1.422 . . . . 1.0 109.544 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -135.9 136.77 40.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.231 -1.159 . . . . 1.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 153.15 -82.0 0.17 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.558 -1.417 . . . . 1.0 109.558 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -88.51 -173.76 47.14 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.473 -1.451 . . . . 1.0 109.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.72 -18.47 15.97 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 123.066 2.51 . . . . 1.0 112.209 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 82.86 -107.26 2.85 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.58 -1.408 . . . . 1.0 109.58 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 669' ' ' PHE . 13.8 p90 -135.41 163.58 29.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -1.128 . . . . 1.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 9.5 t -145.29 -173.27 4.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.333 -0.854 . . . . 1.0 109.463 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.08 -25.22 20.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 1.0 109.327 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -68.15 -45.55 73.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.249 -0.907 . . . . 1.0 109.264 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.7 -36.64 69.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.924 . . . . 1.0 109.417 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.74 -35.38 80.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 1.0 109.043 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.66 -37.86 79.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -70.74 -39.2 73.46 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.135 -0.691 . . . . 1.0 109.135 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.52 -48.14 57.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.119 -0.988 . . . . 1.0 108.494 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.04 -31.69 31.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.617 -1.253 . . . . 1.0 107.617 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.86 79.92 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.45 98.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.572 -0.705 . . . . 1.0 109.455 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 12.9 t -57.05 -33.89 67.69 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.392 -0.818 . . . . 1.0 111.244 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -76.75 -30.86 56.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.346 -1.471 . . . . 1.0 109.888 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.37 67.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 1.0 111.492 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.409 ' N ' ' CD ' ' A' ' 685' ' ' PRO . 1.0 OUTLIER -61.83 -49.29 86.56 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 120.838 -1.164 . . . . 1.0 112.208 -176.357 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.9 Cg_exo -63.12 -43.38 19.21 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 121.887 1.725 . . . . 1.0 112.205 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 -41.52 84.24 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.188 -0.945 . . . . 1.0 108.665 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.95 -38.7 61.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.584 -0.698 . . . . 1.0 109.858 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.92 99.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.132 -0.98 . . . . 1.0 108.822 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.77 -36.03 82.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.445 -0.784 . . . . 1.0 109.067 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -64.38 -44.31 91.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.331 -0.856 . . . . 1.0 109.01 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -35.96 78.94 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.14 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.287 -0.883 . . . . 1.0 108.875 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 67.8 p -70.03 -38.35 75.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 1.0 109.617 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.501 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.48 -39.46 91.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 1.0 108.703 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.599 ' O ' ' N ' ' A' ' 699' ' ' ALA . 0.9 OUTLIER -63.4 -36.33 83.36 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.353 -0.842 . . . . 1.0 108.766 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -70.78 -50.11 39.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.406 -0.809 . . . . 1.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.52 -24.04 59.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.213 -1.555 . . . . 1.0 109.213 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -113.44 -2.22 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -1.033 . . . . 1.0 109.549 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.28 -39.18 56.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 1.0 109.587 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 704' ' ' ARG . 85.6 p -51.6 -37.52 50.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 1.0 109.314 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.23 -41.9 13.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.137 -0.977 . . . . 1.0 110.474 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 49.9 mt -56.79 -32.77 66.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.732 -1.23 . . . . 1.0 108.087 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 8.7 m-85 -120.84 -79.91 0.61 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.447 -0.783 . . . . 1.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 700' ' ' SER . 58.2 ttm-85 -172.33 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.775 -1.203 . . . . 1.0 110.022 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.42 -62.75 0.05 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.05 -1.031 . . . . 1.0 109.551 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 44.1 p 46.48 39.21 6.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.299 -0.876 . . . . 1.0 109.453 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 60.2 tttm 51.86 60.48 3.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 1.0 109.508 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.986 -1.007 . . . . 1.0 109.455 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.831 0 N-CA-C 119.439 2.536 . . . . 1.0 119.439 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 19.6 m -58.32 -35.42 71.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -1.124 . . . . 1.0 109.438 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 550' ' ' GLU . . . 90.45 -63.71 2.98 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 61.1 -72.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -1.14 . . . . 1.0 109.565 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 548' ' ' GLY . 1.1 tt0 52.17 91.01 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 1.0 109.408 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.9 -165.29 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.977 1.784 . . . . 1.0 112.247 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.58 141.76 33.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.266 -0.896 . . . . 1.0 109.459 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -93.19 172.64 8.17 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.15 -42.19 85.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.571 -0.706 . . . . 1.0 109.61 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.5 tt0 -64.8 -47.27 78.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.384 -0.823 . . . . 1.0 109.666 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.96 -45.32 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.451 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -57.22 -36.48 70.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.705 -0.622 . . . . 1.0 109.335 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -44.67 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.952 -1.093 . . . . 1.0 109.319 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 70.3 mm-40 -68.18 -51.04 50.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.23 -0.919 . . . . 1.0 109.48 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.541 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.0 t -59.7 -45.29 92.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 1.0 109.803 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 560' ' ' THR . 7.9 tp -65.98 -35.31 80.24 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.061 -1.024 . . . . 1.0 108.809 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.15 89.75 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.462 -0.774 . . . . 1.0 109.098 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.26 -31.35 69.02 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.895 . . . . 1.0 109.176 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.443 HD21 ' N ' ' A' ' 616' ' ' LEU . 9.4 mp -76.06 -37.91 57.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.837 . . . . 1.0 109.663 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -58.5 -36.68 74.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 1.0 109.457 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 567' ' ' GLY . 8.9 pt20 -79.98 -46.46 16.63 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.327 -0.858 . . . . 1.0 108.796 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 566' ' ' GLN . . . -63.68 -34.01 88.79 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 71.8 t -71.78 -48.49 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -1.222 . . . . 1.0 108.963 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.9 t -66.97 -38.81 86.77 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 1.0 108.721 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 99.7 m -61.82 -43.21 99.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.62 -0.675 . . . . 1.0 109.98 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 82.8 p -67.63 -31.73 71.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 1.0 110.167 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.22 -37.93 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.941 -1.099 . . . . 1.0 109.368 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -62.89 -40.67 98.25 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.15 -51.36 69.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.62 -0.675 . . . . 1.0 109.409 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 8.1 tp -56.48 -46.16 80.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.59 -0.693 . . . . 1.0 109.302 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.35 -34.73 75.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.636 -0.665 . . . . 1.0 109.605 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 573' ' ' ALA . 23.1 t70 -64.71 -36.72 85.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.23 -0.919 . . . . 1.0 108.954 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' A' ' 581' ' ' SER . 6.5 tp -66.74 -36.96 83.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.479 -0.763 . . . . 1.0 109.445 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.83 -38.97 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.137 -0.977 . . . . 1.0 109.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -53.7 -36.76 55.47 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.0 109.595 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 583' ' ' SER . 83.7 p -64.92 -24.79 67.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -1.197 . . . . 1.0 109.515 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . 51.83 -91.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.0 109.53 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 581' ' ' SER . 30.8 t -131.04 143.14 50.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.172 -0.955 . . . . 1.0 109.459 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -129.5 167.07 21.54 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.525 -1.43 . . . . 1.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.03 143.57 95.19 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.778 2.319 . . . . 1.0 112.134 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 162.5 116.14 0.37 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 85.07 -177.11 50.74 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.559 -1.417 . . . . 1.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . 0.488 ' O ' ' O ' ' A' ' 591' ' ' THR . 92.3 m95 -109.21 142.03 40.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.314 -1.109 . . . . 1.0 109.623 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -69.4 -35.02 75.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 1.0 109.454 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.7 m -64.26 -47.59 79.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 1.0 109.463 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 588' ' ' TRP . 16.1 p -133.69 162.95 30.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 1.0 109.464 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.6 t 59.76 -148.93 0.45 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.345 -0.847 . . . . 1.0 109.553 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 54.17 69.04 2.34 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.2 -0.937 . . . . 1.0 110.078 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -53.06 158.49 6.67 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.943 1.762 . . . . 1.0 112.036 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 596' ' ' GLU . 91.6 mt-30 -55.5 138.83 45.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.896 . . . . 1.0 109.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 595' ' ' GLN . 12.1 mt-10 56.17 155.74 0.07 OUTLIER Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.194 -0.941 . . . . 1.0 109.564 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.49 165.98 2.92 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.815 2.344 . . . . 1.0 111.648 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.02 128.4 2.09 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.483 2.122 . . . . 1.0 112.049 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.29 -34.53 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 1.0 109.688 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.83 -41.95 78.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 1.0 109.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.271 -0.893 . . . . 1.0 109.293 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 36.6 tp -70.15 -41.86 73.29 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.439 -0.788 . . . . 1.0 109.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.96 -34.64 72.01 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.0 109.696 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.08 73.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.376 -0.828 . . . . 1.0 109.918 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.02 65.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.133 -0.979 . . . . 1.0 110.172 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.06 -36.95 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 1.0 109.677 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.32 71.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.956 . . . . 1.0 109.554 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.36 -52.24 35.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.199 -0.938 . . . . 1.0 110.033 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -63.89 -42.74 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.14 -0.975 . . . . 1.0 109.753 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.681 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 5.0 m-70 -64.83 -39.99 94.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.009 -1.057 . . . . 1.0 109.241 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.54 96.47 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.34 71.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.819 -1.401 . . . . 1.0 108.776 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 99.1 t -64.52 -47.35 89.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -53.8 -34.93 60.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.42 -0.8 . . . . 1.0 108.898 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.5 -32.63 72.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.884 -1.135 . . . . 1.0 108.307 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 564' ' ' LEU . 6.2 tp -70.38 -42.86 71.19 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -40.91 95.25 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.125 -0.984 . . . . 1.0 108.987 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.06 -45.33 50.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.447 -0.783 . . . . 1.0 109.865 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.13 -46.68 87.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 1.0 108.857 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.61 85.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.429 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.9 -42.9 89.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.661 -0.65 . . . . 1.0 109.527 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.5 t -58.15 -43.87 87.59 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 1.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.89 73.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 1.0 109.408 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.19 -42.98 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 1.0 109.641 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 627' ' ' ALA . 20.8 m -64.29 -29.23 70.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.94 . . . . 1.0 109.673 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 70.3 m -73.46 9.53 1.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 1.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 625' ' ' SER . . . -84.78 58.9 5.22 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.247 -0.908 . . . . 1.0 109.431 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 86.4 m -55.31 -41.56 72.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 1.0 109.562 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.63 116.78 28.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.311 -0.868 . . . . 1.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 121.27 13.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.923 . . . . 1.0 109.456 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 632' ' ' ASP . 24.9 p -83.96 7.27 18.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 1.0 109.374 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 631' ' ' SER . 0.7 OUTLIER 73.58 41.07 0.46 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 1.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -64.86 154.45 37.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 1.0 109.325 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 60.2 m -61.07 -26.2 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 1.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.34 -45.1 88.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.0 109.293 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.19 -44.61 91.47 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.22 -46.95 75.94 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -44.66 79.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.52 -0.737 . . . . 1.0 109.457 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.55 -46.4 89.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.943 . . . . 1.0 109.526 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.8 t -61.52 -37.35 83.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 1.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -59.86 -46.43 89.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.295 -0.878 . . . . 1.0 110.63 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.482 HE22 ' HB2' ' A' ' 694' ' ' PHE . 7.7 pt20 -71.22 -26.45 62.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.925 -1.109 . . . . 1.0 109.889 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -45.41 43.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 1.0 110.08 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -64.63 -41.81 95.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 1.0 109.581 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -65.88 -31.12 71.87 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.185 -1.042 . . . . 1.0 108.185 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -68.42 -36.52 79.2 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.713 -0.847 . . . . 1.0 108.713 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.6 -50.84 69.68 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.232 -1.025 . . . . 1.0 108.232 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.01 -44.76 72.12 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.967 -0.458 . . . . 1.0 109.925 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 18.6 t -66.0 -42.65 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.288 -0.882 . . . . 1.0 110.024 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.681 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 40.8 t80 -61.47 -34.55 75.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.384 -0.823 . . . . 1.0 110.765 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -78.19 -30.93 49.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 1.0 109.865 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.0 m -57.88 -49.04 78.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.0 . . . . 1.0 109.321 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.58 -33.91 71.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 1.0 109.334 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.85 -43.73 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.327 -0.858 . . . . 1.0 109.361 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 73.7 t -66.03 -39.22 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 1.0 108.394 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -64.61 -38.94 92.74 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.816 -1.179 . . . . 1.0 107.816 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.76 -48.53 16.7 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -56.42 -25.68 51.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -1.189 . . . . 1.0 109.536 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.87 -36.03 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.227 -0.921 . . . . 1.0 109.674 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 660' ' ' LEU . 1.7 pp -51.59 -28.87 15.34 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.296 -0.878 . . . . 1.0 109.489 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.6 118.09 21.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 1.0 109.478 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 64.7 p -167.47 -112.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 1.0 109.435 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.34 63.68 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.53 -1.428 . . . . 1.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -55.91 -37.6 69.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -1.149 . . . . 1.0 109.454 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -155.16 -174.76 25.43 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.635 -1.386 . . . . 1.0 109.635 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . -48.11 -53.32 15.25 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.623 -1.391 . . . . 1.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 71.8 Cg_exo -51.66 145.71 29.4 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.955 2.436 . . . . 1.0 112.48 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 173.99 -114.48 0.51 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -137.31 164.07 29.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -1.165 . . . . 1.0 109.52 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.6 p -135.67 -175.8 4.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 1.0 109.69 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.39 -24.2 18.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 1.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -65.93 -46.7 77.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -0.929 . . . . 1.0 109.142 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.38 -37.03 72.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.4 -0.813 . . . . 1.0 109.577 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.9 -37.9 88.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.21 -0.932 . . . . 1.0 109.437 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -59.06 -35.52 73.48 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -71.42 -41.97 68.88 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.4 -49.3 50.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 1.0 108.401 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.54 -31.52 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.058 -1.09 . . . . 1.0 108.058 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.88 -42.86 84.86 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.898 -0.779 . . . . 1.0 108.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.15 -36.43 83.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.264 -0.898 . . . . 1.0 109.359 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 15.6 t -56.71 -35.69 68.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.269 -0.894 . . . . 1.0 110.483 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -78.95 -34.97 43.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.748 -1.22 . . . . 1.0 109.878 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.28 64.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.922 . . . . 1.0 110.936 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.482 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.5 t -57.39 -53.89 60.68 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.004 -1.06 . . . . 1.0 112.249 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 35.0 Cg_endo -65.51 -38.81 23.95 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 121.896 1.731 . . . . 1.0 112.788 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -60.01 -41.98 93.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.004 -1.06 . . . . 1.0 108.183 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -74.73 -32.04 62.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.524 -0.735 . . . . 1.0 109.278 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.46 91.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 1.0 108.493 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -65.99 -37.2 85.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.51 -0.744 . . . . 1.0 109.006 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -59.42 -42.01 90.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.326 -0.858 . . . . 1.0 108.79 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.2 -34.61 70.56 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.33 77.3 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.0 m -71.25 -45.69 62.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.318 -0.864 . . . . 1.0 109.302 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.495 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -64.82 -36.83 85.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 1.0 108.796 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 699' ' ' ALA . 5.7 mp -60.72 -37.23 81.02 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -64.36 -47.22 80.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.567 -0.708 . . . . 1.0 109.496 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.83 -23.03 60.7 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.947 -1.661 . . . . 1.0 108.947 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.623 ' N ' HD21 ' A' ' 698' ' ' ASN . 0.7 OUTLIER -107.5 -0.97 21.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.402 -1.058 . . . . 1.0 109.638 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -57.91 -26.99 62.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 1.0 109.368 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 704' ' ' ARG . 27.7 t -64.99 -50.52 65.99 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.2 -0.938 . . . . 1.0 109.571 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 -10.94 17.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.157 -0.965 . . . . 1.0 111.012 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 698' ' ' ASN . 58.3 tp -67.23 -29.94 69.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.634 -1.292 . . . . 1.0 108.511 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 557' ' ' ALA . 62.4 m-85 -118.06 -84.13 0.65 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -0.84 . . . . 1.0 109.531 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 700' ' ' SER . 76.6 mtp180 -148.64 -106.94 0.08 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.359 -0.838 . . . . 1.0 110.075 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 706' ' ' THR . 68.9 ttt180 -167.34 66.85 0.09 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.459 -0.776 . . . . 1.0 109.453 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 705' ' ' ARG . 8.9 p 46.35 -170.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.351 -0.843 . . . . 1.0 109.499 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -59.62 -35.78 75.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.931 . . . . 1.0 109.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.085 -0.959 . . . . 1.0 109.455 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.902 0 N-CA-C 119.412 2.525 . . . . 1.0 119.412 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 42.6 m -60.57 154.61 20.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 1.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -81.2 -179.75 53.18 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -157.77 -62.7 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -1.156 . . . . 1.0 109.508 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -132.0 78.83 68.62 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 1.0 109.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -86.54 146.89 8.45 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.9 2.4 . . . . 1.0 112.471 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 0.8 OUTLIER -67.66 -26.82 66.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.28 -0.888 . . . . 1.0 109.366 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 14.4 tp10 87.83 112.71 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.202 -0.936 . . . . 1.0 109.235 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.89 -34.31 77.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 1.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.1 mt-10 -65.1 -46.42 81.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 1.0 110.034 -178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.551 ' O ' ' OG1' ' A' ' 560' ' ' THR . 49.8 t -66.84 -47.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.782 -1.199 . . . . 1.0 107.847 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.62 -35.3 68.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.633 -0.667 . . . . 1.0 109.777 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.9 -43.85 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.786 -1.196 . . . . 1.0 109.389 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.4 OUTLIER -73.7 -44.73 55.69 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.243 -0.911 . . . . 1.0 109.916 -179.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.551 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.73 -47.12 86.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.978 -1.076 . . . . 1.0 110.42 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -35.46 71.57 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.792 -1.193 . . . . 1.0 109.381 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.08 89.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 1.0 109.69 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -66.58 -34.18 77.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.074 -1.016 . . . . 1.0 108.906 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.41 ' CD2' ' CD2' ' A' ' 619' ' ' PHE . 6.2 mp -67.99 -42.24 81.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 1.0 108.863 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . 0.485 ' NE2' ' CB ' ' A' ' 692' ' ' ALA . 63.2 mt-30 -60.18 -35.37 75.21 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.329 -0.857 . . . . 1.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -78.95 -46.39 18.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.653 -1.279 . . . . 1.0 108.31 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . 0.402 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -61.39 -33.33 84.21 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.737 -1.745 . . . . 1.0 108.737 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 68.1 t -70.06 -49.33 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.149 . . . . 1.0 108.819 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 39.6 m -66.57 -39.8 88.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.903 . . . . 1.0 108.835 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.3 m -62.95 -43.28 99.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.483 -0.761 . . . . 1.0 110.113 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 73.0 p -67.35 -33.23 74.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 1.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 57.0 t -63.59 -39.18 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.261 -0.899 . . . . 1.0 108.989 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.34 83.67 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 1.0 109.467 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -57.92 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.0 109.456 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.24 -46.07 79.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 1.0 109.452 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.74 -35.39 77.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 1.0 108.838 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.08 -38.0 66.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 1.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.46 -44.17 36.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 1.0 109.429 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.89 -26.27 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.89 . . . . 1.0 109.586 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.42 -40.97 47.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.399 . . . . 1.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 33.6 m -61.64 -34.02 74.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -1.191 . . . . 1.0 109.575 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -61.22 149.81 36.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 1.0 109.453 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 582' ' ' ALA . 9.1 m 55.94 167.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.331 -0.856 . . . . 1.0 109.49 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 164.54 169.72 28.51 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.46 134.88 43.46 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.77 2.313 . . . . 1.0 112.189 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.09 48.51 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 66.7 -123.2 21.89 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 1.6 t90 49.0 -164.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -1.137 . . . . 1.0 109.484 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 46.49 69.06 0.52 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 1.0 109.454 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 29.1 t -144.79 143.09 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 1.0 109.523 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 43.6 p -99.08 -117.27 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 1.0 109.453 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 m 54.35 -177.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.281 -0.887 . . . . 1.0 109.496 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 158.04 45.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 1.0 109.535 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.87 -48.97 4.53 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.783 2.322 . . . . 1.0 112.164 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -129.58 143.99 51.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.905 . . . . 1.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.7 OUTLIER -93.35 -42.88 0.33 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 1.0 110.209 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 16.4 Cg_exo -65.57 161.8 36.95 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.502 2.135 . . . . 1.0 111.927 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.23 135.0 21.96 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.563 2.175 . . . . 1.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.95 -32.06 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.89 . . . . 1.0 109.448 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -56.39 -37.16 69.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 1.0 109.381 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.301 -0.874 . . . . 1.0 109.043 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.22 -43.17 64.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.501 -0.75 . . . . 1.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.0 -35.49 76.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 1.0 109.504 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.89 76.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.9 . . . . 1.0 110.04 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.31 80.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 1.0 109.956 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.16 -37.61 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 1.0 109.491 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.99 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 1.0 109.371 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.8 92.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.912 . . . . 1.0 109.646 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 70.5 t -62.92 -43.19 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.113 -0.992 . . . . 1.0 109.325 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.588 ' ND1' ' CE1' ' A' ' 650' ' ' TYR . 18.3 m-70 -70.13 -31.17 68.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.112 -0.992 . . . . 1.0 109.567 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.83 -42.08 99.42 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.8 71.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.113 -1.228 . . . . 1.0 109.538 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.452 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 78.2 t -67.39 -46.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.081 -1.012 . . . . 1.0 108.978 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -54.6 -34.6 62.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.276 -0.89 . . . . 1.0 108.813 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.07 -34.7 78.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.163 -0.96 . . . . 1.0 108.722 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 2.8 tt -68.72 -42.35 77.77 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -42.22 95.89 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.589 -0.893 . . . . 1.0 108.589 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.01 -45.16 59.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 1.0 110.522 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.41 ' CD2' ' CD2' ' A' ' 564' ' ' LEU . 3.2 m-85 -63.95 -47.53 80.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.952 -1.092 . . . . 1.0 109.384 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.77 92.31 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.328 -0.858 . . . . 1.0 109.218 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.43 -39.39 92.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.099 -1.001 . . . . 1.0 109.703 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 50.0 m -57.18 -39.16 74.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.693 -1.255 . . . . 1.0 108.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.52 86.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.0 109.326 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.2 -42.91 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 1.0 109.527 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 30.5 m -57.96 -37.38 74.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 1.0 109.559 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 702' ' ' LEU . 12.5 p -78.17 -4.04 45.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 1.0 109.551 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -73.33 162.57 29.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.939 . . . . 1.0 109.417 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 5.9 t -132.13 159.38 39.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 1.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.505 ' C ' ' H ' ' A' ' 631' ' ' SER . 40.1 p-80 -92.82 -157.56 0.54 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.0 109.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 629' ' ' HIS . 0.2 OUTLIER 71.25 -39.38 0.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 1.0 109.466 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 629' ' ' HIS . 16.6 m -59.54 -35.96 75.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.962 . . . . 1.0 109.439 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 52.6 t0 49.66 62.59 2.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 1.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -104.46 134.86 46.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.3 -0.875 . . . . 1.0 109.451 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 55.2 m -61.12 -34.93 75.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.0 109.519 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.14 -44.03 83.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 1.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -62.93 -44.26 96.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 1.0 108.573 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.58 -48.22 79.97 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.867 -0.79 . . . . 1.0 108.867 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.74 88.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.418 -0.801 . . . . 1.0 109.672 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 64.6 tp -58.11 -46.97 84.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.286 -0.884 . . . . 1.0 110.194 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.0 99.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.077 -1.015 . . . . 1.0 110.3 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -60.76 -46.06 91.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.09 -1.006 . . . . 1.0 110.604 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.448 HE22 ' HZ2' ' A' ' 645' ' ' LYS . 60.2 tp60 -72.75 -33.82 66.61 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.926 -1.109 . . . . 1.0 110.005 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.45 -47.07 65.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.206 -0.934 . . . . 1.0 110.101 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.96 -37.26 87.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 1.0 109.547 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.448 ' HZ2' HE22 ' A' ' 642' ' ' GLN . 30.0 ttpt -64.5 -34.19 77.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.545 -1.28 . . . . 1.0 107.545 178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -38.94 83.03 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.65 -51.09 68.64 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -67.55 -43.59 80.32 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.596 -0.69 . . . . 1.0 109.52 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . 0.464 ' O ' ' OG1' ' A' ' 652' ' ' THR . 38.6 t -67.28 -40.42 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.339 -0.85 . . . . 1.0 110.135 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.588 ' CE1' ' ND1' ' A' ' 610' ' ' HIS . 45.6 t80 -66.52 -35.88 81.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.859 -1.151 . . . . 1.0 109.619 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -72.28 -33.03 67.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.07 -1.019 . . . . 1.0 109.46 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.488 ' HG1' ' N ' ' A' ' 653' ' ' LEU . 76.3 p -61.98 -41.27 97.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 1.0 109.121 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.488 ' N ' ' HG1' ' A' ' 652' ' ' THR . 85.5 mt -68.71 -34.43 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.391 -0.818 . . . . 1.0 109.816 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.01 -42.88 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.03 -1.044 . . . . 1.0 109.427 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.83 -44.35 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -61.47 -39.62 91.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.341 -1.355 . . . . 1.0 107.341 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -71.68 -43.96 50.22 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.464 -1.454 . . . . 1.0 109.464 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.86 -30.72 61.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.059 -1.26 . . . . 1.0 109.72 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.58 -32.38 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 1.0 110.29 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.507 ' O ' ' CE1' ' A' ' 669' ' ' PHE . 4.0 tt -53.55 -30.41 41.78 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.018 -1.051 . . . . 1.0 109.648 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.9 121.68 18.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 1.0 109.546 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 58.6 p -74.45 164.75 26.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 1.0 109.486 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -144.44 -172.32 14.97 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.494 -1.443 . . . . 1.0 109.494 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 665' ' ' GLY . 9.9 ptp180 -51.55 -39.22 57.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -1.166 . . . . 1.0 109.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 664' ' ' ARG . . . -58.45 -21.1 47.81 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 103.77 168.99 25.37 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.419 -1.472 . . . . 1.0 109.419 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.63 137.28 80.28 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.092 2.528 . . . . 1.0 112.149 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -127.39 16.68 6.27 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.536 -1.426 . . . . 1.0 109.536 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 29.9 p90 -137.55 160.18 39.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -1.184 . . . . 1.0 109.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p -142.07 -169.74 3.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.322 -0.861 . . . . 1.0 109.251 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.05 -25.63 22.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.0 109.202 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -64.51 -47.18 79.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.227 -0.921 . . . . 1.0 109.522 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -57.75 -32.87 67.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 1.0 110.048 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -39.1 93.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.015 . . . . 1.0 109.648 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.67 -35.2 75.64 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.102 -1.444 . . . . 1.0 107.102 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -70.96 -42.66 69.47 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.13 -0.692 . . . . 1.0 109.13 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 16.8 mt -70.18 -47.35 61.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 1.0 108.777 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.58 -32.02 35.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.03 -43.69 67.37 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.605 -0.684 . . . . 1.0 109.22 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.09 -39.08 86.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.183 -0.948 . . . . 1.0 109.686 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 27.0 t -57.36 -35.15 69.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.236 -0.915 . . . . 1.0 110.53 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.73 -30.8 56.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.855 -1.153 . . . . 1.0 110.087 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.16 -46.12 62.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.158 -0.964 . . . . 1.0 111.812 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -58.12 -51.42 81.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.934 -1.104 . . . . 1.0 112.493 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.9 Cg_endo -64.3 -41.72 20.21 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 121.972 1.781 . . . . 1.0 112.634 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.61 -40.52 97.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.018 -1.051 . . . . 1.0 108.223 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -75.56 -32.68 60.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.52 -0.738 . . . . 1.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.42 86.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.234 -0.916 . . . . 1.0 109.167 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -38.2 82.26 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.37 -0.831 . . . . 1.0 109.506 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.34 -43.71 98.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.329 -0.857 . . . . 1.0 108.964 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.71 -33.6 71.82 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . 0.485 ' CB ' ' NE2' ' A' ' 565' ' ' GLN . . . -59.82 -35.65 75.17 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' SER . . . . . 0.58 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 29.4 t -69.8 -41.85 74.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.86 . . . . 1.0 109.299 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.509 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -70.7 -29.44 65.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.92 . . . . 1.0 108.546 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.07 -38.01 81.9 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.609 ' CD2' ' N ' ' A' ' 697' ' ' GLY . 1.3 p-80 -73.05 -40.15 65.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.484 -0.76 . . . . 1.0 109.564 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . 0.609 ' N ' ' CD2' ' A' ' 696' ' ' HIS . . . -55.59 -27.97 50.17 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.374 -1.49 . . . . 1.0 109.374 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.5 OUTLIER -118.59 7.63 11.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.356 -1.085 . . . . 1.0 109.549 -179.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.45 49.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.177 -0.952 . . . . 1.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.4 t -50.89 -35.4 32.73 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.922 . . . . 1.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.36 -43.42 11.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.965 . . . . 1.0 110.611 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.451 ' O ' ' OG ' ' A' ' 626' ' ' SER . 51.4 mt -53.5 -32.5 50.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.178 . . . . 1.0 108.749 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 8.6 m-85 -121.66 -68.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 1.0 109.235 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 33.0 ttt85 72.4 99.18 0.07 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.43 -0.794 . . . . 1.0 109.667 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.26 147.39 53.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.837 . . . . 1.0 109.52 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 39.1 m -79.43 135.64 36.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 1.0 109.447 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -116.89 148.16 41.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 1.0 109.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.98 -1.009 . . . . 1.0 109.444 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.84 0 N-CA-C 119.43 2.532 . . . . 1.0 119.43 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 49.7 m -123.11 149.79 44.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -1.155 . . . . 1.0 109.456 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -81.38 -174.32 48.98 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -106.35 163.87 12.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -1.2 . . . . 1.0 109.557 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.498 ' CB ' ' CD ' ' A' ' 551' ' ' PRO . 3.4 mt-10 -152.83 -62.19 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.372 -0.83 . . . . 1.0 109.498 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 550' ' ' GLU . 77.8 Cg_exo -30.78 152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.98 2.453 . . . . 1.0 112.373 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 3.5 mm? -53.92 -33.06 55.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 1.0 109.347 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.678 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 39.8 tt0 91.97 90.68 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.131 -1.063 . . . . 1.0 108.131 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.21 -37.96 89.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.492 -0.755 . . . . 1.0 111.001 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.52 -42.89 91.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.926 -1.109 . . . . 1.0 110.535 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.513 ' O ' ' OG1' ' A' ' 560' ' ' THR . 15.8 t -75.43 -43.23 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.629 -1.294 . . . . 1.0 108.089 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.12 94.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 1.0 109.498 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -32.13 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.67 -1.269 . . . . 1.0 108.798 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.29 -49.6 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.423 -0.798 . . . . 1.0 109.697 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -68.61 -34.83 76.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.902 . . . . 1.0 109.84 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.53 -44.97 96.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.9 -1.125 . . . . 1.0 109.036 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.4 81.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 1.0 109.871 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -61.23 -32.34 72.13 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.115 -0.991 . . . . 1.0 108.739 178.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.3 -37.62 74.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.607 -0.683 . . . . 1.0 109.702 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . 0.436 HE22 ' CB ' ' A' ' 688' ' ' ALA . 43.9 mm-40 -61.28 -30.09 70.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 1.0 109.496 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.436 ' O ' ' OG1' ' A' ' 570' ' ' THR . 99.4 mm-40 -77.76 -47.69 18.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 1.0 108.562 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . 0.419 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -63.14 -33.39 87.12 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 87.1 t -71.98 -49.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.992 -1.299 . . . . 1.0 109.049 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 t -66.88 -39.79 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 1.0 108.725 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 86.9 m -62.62 -42.73 99.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.545 -0.722 . . . . 1.0 110.12 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 53.2 p -67.39 -32.82 73.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 1.0 109.864 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.57 -39.07 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 1.0 109.495 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.3 84.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.148 -0.97 . . . . 1.0 108.721 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . 0.426 ' NE2' ' CD1' ' A' ' 578' ' ' LEU . 29.2 t60 -59.65 -50.22 74.71 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.587 -0.696 . . . . 1.0 109.484 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.18 -45.42 72.12 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.229 -0.919 . . . . 1.0 109.003 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.77 -35.2 69.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -58.35 -37.98 76.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.916 . . . . 1.0 109.223 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . 0.426 ' CD1' ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.99 -42.95 84.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.311 -0.868 . . . . 1.0 109.468 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.82 -39.9 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.0 109.498 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 53.31 32.12 43.76 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.606 -1.397 . . . . 1.0 109.606 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.9 t 59.18 32.39 22.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -1.164 . . . . 1.0 109.55 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -53.39 139.84 29.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 1.0 109.452 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 76.6 p -151.93 164.05 37.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.287 -0.883 . . . . 1.0 109.473 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -97.3 -172.75 33.91 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.496 -1.441 . . . . 1.0 109.496 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.24 -17.09 7.92 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.781 2.321 . . . . 1.0 112.214 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 99.25 -30.91 8.95 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -91.83 -174.23 42.66 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.516 -1.434 . . . . 1.0 109.516 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' A' ' 589' ' ' ARG . 1.7 m-90 -89.23 -72.79 0.53 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.297 -1.119 . . . . 1.0 109.642 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 588' ' ' TRP . 94.1 mtt-85 42.54 -160.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.328 -0.858 . . . . 1.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 86.4 p -99.18 155.42 17.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 1.0 109.4 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 5.0 m -76.03 130.34 38.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 1.0 109.524 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.9 m -62.25 -34.54 76.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 1.0 109.486 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.3 163.47 49.83 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 1.0 109.528 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.2 145.49 60.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.789 2.326 . . . . 1.0 112.246 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -78.14 62.44 2.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.707 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -138.44 69.74 46.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.0 110.078 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -83.42 163.94 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.689 2.26 . . . . 1.0 112.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -45.07 105.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.677 2.251 . . . . 1.0 112.125 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.27 -34.37 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 1.0 109.668 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' A' ' 600' ' ' GLN . 7.3 mp0 -57.79 -42.28 83.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 1.0 109.274 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.427 -0.795 . . . . 1.0 109.201 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -43.14 35.3 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.304 -0.872 . . . . 1.0 109.004 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -65.27 -38.27 89.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.847 . . . . 1.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.73 72.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 1.0 109.958 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.19 -47.21 62.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 1.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.454 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 14.8 p -69.56 -37.57 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 1.0 109.712 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.9 83.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.966 . . . . 1.0 109.42 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.84 87.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.214 -0.929 . . . . 1.0 109.902 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -44.33 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.021 -1.05 . . . . 1.0 109.529 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.585 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 31.2 m170 -68.24 -29.33 68.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.087 -1.008 . . . . 1.0 108.899 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.81 98.56 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.9 76.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.262 . . . . 1.0 109.443 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 86.8 t -66.89 -45.32 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.212 -0.93 . . . . 1.0 109.397 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -56.23 -33.75 65.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.442 -0.786 . . . . 1.0 110.606 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.17 -34.08 77.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.706 -1.246 . . . . 1.0 108.729 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.74 -38.99 87.76 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.438 -1.319 . . . . 1.0 107.438 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -40.44 96.27 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -72.51 -45.5 59.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.0 109.189 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.98 -47.25 78.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 1.0 108.748 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.71 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.848 -1.167 . . . . 1.0 107.848 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -59.98 -41.23 91.55 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 38.2 p -58.26 -37.18 74.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.238 -0.914 . . . . 1.0 108.645 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.68 94.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.451 -0.781 . . . . 1.0 109.065 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.28 -35.48 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 1.0 109.606 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.6 t -51.89 148.77 5.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.3 -0.875 . . . . 1.0 110.008 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 34.5 t 47.64 31.74 2.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.993 -1.067 . . . . 1.0 109.749 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -58.73 149.03 27.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.144 -0.972 . . . . 1.0 109.5 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 73.5 m -122.45 143.5 49.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.223 -0.923 . . . . 1.0 109.677 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -97.91 147.69 24.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.42 ' OG1' ' OD1' ' A' ' 632' ' ' ASP . 40.3 p -130.5 -171.06 2.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 1.0 109.545 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 84.8 p -52.47 -32.93 42.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 1.0 109.463 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.423 ' C ' ' OD1' ' A' ' 632' ' ' ASP . 47.1 p30 -99.86 164.73 11.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.273 -0.892 . . . . 1.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -154.47 -12.47 0.13 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 1.0 109.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 81.8 m -60.86 -39.28 88.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 1.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 635' ' ' LEU . 4.1 mm? -59.28 -45.97 89.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 1.0 109.558 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . 0.417 ' NE2' ' CD2' ' A' ' 702' ' ' LEU . 0.1 OUTLIER -63.05 -42.59 99.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.064 -1.022 . . . . 1.0 108.266 178.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.2 78.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.732 -0.84 . . . . 1.0 108.732 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -42.95 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.748 . . . . 1.0 109.177 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.13 -47.42 85.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.392 -0.818 . . . . 1.0 109.354 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.0 t -58.63 -42.74 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 1.0 109.955 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -61.61 -44.82 96.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.138 -0.976 . . . . 1.0 110.24 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.4 ' OE1' ' CG ' ' A' ' 694' ' ' PHE . 59.7 tt0 -74.35 -36.43 63.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.965 -1.084 . . . . 1.0 110.107 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.9 tt -68.8 -49.85 55.11 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.225 -0.922 . . . . 1.0 110.247 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.52 -36.59 84.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.041 -1.037 . . . . 1.0 108.92 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -34.65 78.74 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.459 -1.312 . . . . 1.0 107.459 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -37.92 80.14 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.197 -1.038 . . . . 1.0 108.197 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -63.59 -52.38 61.22 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.952 -0.758 . . . . 1.0 108.952 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.51 -42.81 82.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.614 -0.679 . . . . 1.0 109.323 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.06 -40.25 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.838 . . . . 1.0 110.025 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.585 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 42.4 t80 -68.53 -35.65 77.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.032 -1.043 . . . . 1.0 109.392 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.64 -36.08 67.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.217 -0.927 . . . . 1.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.7 m -60.82 -43.0 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.204 -0.935 . . . . 1.0 109.251 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.25 -35.23 71.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.406 -0.809 . . . . 1.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.2 -44.03 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.063 . . . . 1.0 109.499 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 78.6 t -65.83 -41.53 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 1.0 108.361 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.51 -37.32 87.14 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.16 -46.74 20.45 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.94 -28.6 62.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -1.221 . . . . 1.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.24 -35.05 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.249 -0.907 . . . . 1.0 109.767 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 662' ' ' SER . 2.9 tt -53.93 -35.61 61.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.995 . . . . 1.0 109.483 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -73.91 24.73 0.08 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.0 109.49 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 660' ' ' LEU . 99.2 p -56.89 -28.5 61.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.204 -0.935 . . . . 1.0 109.59 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.07 -121.53 23.32 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -110.89 137.65 48.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.284 -1.127 . . . . 1.0 109.407 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 158.42 -178.9 34.46 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.529 -1.428 . . . . 1.0 109.529 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -49.53 -72.41 0.48 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.45 150.58 86.91 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.977 2.451 . . . . 1.0 112.09 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -161.29 -175.76 32.66 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.706 -1.357 . . . . 1.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -140.55 167.22 22.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -1.107 . . . . 1.0 109.436 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 8.8 t -144.53 -171.62 3.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.086 -1.009 . . . . 1.0 110.1 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.22 -26.17 27.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.383 -0.823 . . . . 1.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -65.75 -46.83 77.37 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.237 -0.914 . . . . 1.0 109.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.67 -31.19 66.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.445 -0.784 . . . . 1.0 109.583 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.26 -36.26 81.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.205 -0.934 . . . . 1.0 109.141 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.97 -35.79 77.72 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.006 -1.479 . . . . 1.0 107.006 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -71.3 -41.17 70.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 109.333 -0.618 . . . . 1.0 109.333 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.09 -47.24 59.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.976 -1.078 . . . . 1.0 108.499 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.88 -32.63 43.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 107.844 -1.169 . . . . 1.0 107.844 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.06 67.49 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 108.399 -0.964 . . . . 1.0 108.399 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.7 m -66.45 -37.45 85.18 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.6 t -56.48 -34.55 67.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 1.0 110.112 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -77.04 -30.76 55.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.816 -1.178 . . . . 1.0 109.202 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.85 -44.68 54.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.335 -0.853 . . . . 1.0 112.272 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.487 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.0 t -60.09 -50.2 87.38 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 120.557 -1.34 . . . . 1.0 112.333 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.7 Cg_endo -67.25 -39.54 12.93 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.99 1.794 . . . . 1.0 112.343 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.69 -40.19 91.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.718 -1.216 . . . . 1.0 107.718 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.84 -34.29 64.48 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . 0.436 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -60.2 -41.82 93.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.94 . . . . 1.0 109.061 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -39.15 91.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.463 -0.773 . . . . 1.0 109.103 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.03 -43.39 87.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 1.0 109.063 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 48.3 tp -58.66 -33.76 70.47 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.25 -0.906 . . . . 1.0 108.675 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.13 -34.54 78.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.876 . . . . 1.0 109.154 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.2 m -68.44 -41.7 79.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.4 ' CG ' ' OE1' ' A' ' 642' ' ' GLN . 3.7 m-85 -68.41 -33.15 73.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 1.0 108.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 695' ' ' LEU . 0.2 OUTLIER -61.55 -37.11 82.58 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.416 -0.802 . . . . 1.0 109.256 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -68.3 -44.22 75.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.376 -0.827 . . . . 1.0 109.912 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.68 -24.82 57.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.432 -1.467 . . . . 1.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.63 ' N ' HD21 ' A' ' 698' ' ' ASN . 0.6 OUTLIER -111.62 2.51 17.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -1.135 . . . . 1.0 109.837 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -49.15 -25.13 1.98 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.094 -1.003 . . . . 1.0 109.317 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.6 p -76.92 -31.99 57.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.187 -0.946 . . . . 1.0 109.737 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 10.8 mp -93.03 -45.64 7.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.147 -0.971 . . . . 1.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.417 ' CD2' ' NE2' ' A' ' 636' ' ' HIS . 15.0 mt -55.78 -29.08 59.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.731 -1.231 . . . . 1.0 108.24 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 703' ' ' PHE . 40.7 m-85 -121.51 -112.12 0.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.453 -0.779 . . . . 1.0 109.028 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -173.12 -96.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.834 . . . . 1.0 110.05 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -142.05 151.48 42.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.365 -0.835 . . . . 1.0 109.464 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 52.1 m -52.37 -41.16 62.85 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 1.0 109.478 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt 54.56 54.8 8.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.167 -0.958 . . . . 1.0 109.423 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.02 -0.99 . . . . 1.0 109.463 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.908 0 N-CA-C 119.428 2.531 . . . . 1.0 119.428 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 82.4 p -62.73 -30.03 71.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -1.126 . . . . 1.0 109.477 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 153.62 -173.61 32.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.527 -1.429 . . . . 1.0 109.527 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 46.03 -158.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.232 -1.157 . . . . 1.0 109.489 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -136.56 89.72 18.1 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -79.91 144.32 16.99 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.902 2.401 . . . . 1.0 111.93 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 552' ' ' LEU . 3.7 mm? -85.11 -175.57 5.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.866 . . . . 1.0 108.876 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.72 166.86 10.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.214 -0.929 . . . . 1.0 109.53 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.29 -39.76 84.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.773 . . . . 1.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 1.0 109.753 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.3 -39.38 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.36 91.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -36.47 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.174 -0.954 . . . . 1.0 109.057 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.05 -49.07 66.37 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 53.4 m -58.92 -47.75 83.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.327 -0.858 . . . . 1.0 109.754 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.72 -45.64 74.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.169 -0.957 . . . . 1.0 110.055 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -43.56 73.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.134 -0.978 . . . . 1.0 109.766 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.406 ' NH1' ' CB ' ' A' ' 563' ' ' ARG . 20.2 mtp-105 -70.73 -32.28 69.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 1.0 110.181 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.486 HD11 ' N ' ' A' ' 564' ' ' LEU . 4.6 mp -68.14 -43.25 78.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 1.0 110.026 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.4 -32.21 73.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 1.0 109.081 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.423 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.0 mt-30 -77.43 -50.65 12.25 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -63.41 -33.1 86.32 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 108.786 -1.725 . . . . 1.0 108.786 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 564' ' ' LEU . 72.1 t -73.17 -49.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -1.058 . . . . 1.0 108.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.38 -39.47 89.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.841 . . . . 1.0 108.913 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 98.9 m -62.62 -43.07 99.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.517 -0.74 . . . . 1.0 110.379 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 75.7 p -67.77 -31.72 71.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.033 . . . . 1.0 110.366 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 59.6 t -64.96 -39.6 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.909 -1.119 . . . . 1.0 109.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -61.07 -39.25 89.16 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.149 -0.969 . . . . 1.0 108.495 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -57.73 -51.13 70.82 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.561 -0.712 . . . . 1.0 109.432 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.3 tp -56.67 -46.26 81.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 1.0 109.517 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.1 -32.81 71.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.365 -0.834 . . . . 1.0 109.193 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 573' ' ' ALA . 21.4 t70 -63.79 -35.53 80.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.253 -0.904 . . . . 1.0 109.133 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.44 -37.48 80.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 1.0 109.5 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.85 -35.93 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 1.0 109.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.72 -34.67 36.93 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.569 -1.413 . . . . 1.0 109.569 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.1 p -61.87 -29.75 70.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -1.167 . . . . 1.0 109.477 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -80.82 -157.11 0.15 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 1.0 109.484 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.98 167.35 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -0.863 . . . . 1.0 109.376 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -145.89 -167.12 12.37 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.567 -1.413 . . . . 1.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -52.44 -21.74 14.61 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.355 . . . . 1.0 112.165 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 92.56 14.1 55.97 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 1.0 109.603 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -80.79 -177.03 51.14 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.535 -1.426 . . . . 1.0 109.535 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -96.11 143.29 27.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.251 -1.147 . . . . 1.0 109.52 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 591' ' ' THR . 89.3 mtt-85 -128.67 163.67 24.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 1.0 109.448 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 89.4 p -63.25 71.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 1.0 109.438 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 589' ' ' ARG . 2.3 m 46.13 38.85 5.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.885 . . . . 1.0 109.462 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.5 p -71.1 157.22 38.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.93 . . . . 1.0 109.479 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -161.31 72.38 2.59 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.173 -0.954 . . . . 1.0 109.513 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -52.57 142.78 48.28 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.867 2.378 . . . . 1.0 112.19 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.66 -145.41 0.32 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 1.0 109.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.83 77.93 71.25 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 1.0 110.146 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.488 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 36.1 Cg_exo -53.67 -42.95 62.04 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.856 2.37 . . . . 1.0 112.145 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 92.2 Cg_endo -86.8 62.35 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.523 2.149 . . . . 1.0 112.1 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.88 -34.25 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 1.0 109.551 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -56.6 -45.26 81.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 1.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -58.17 -34.51 70.41 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.418 -0.801 . . . . 1.0 109.285 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -40.32 76.53 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.356 -0.84 . . . . 1.0 109.066 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -64.75 -36.1 83.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 1.0 109.558 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -36.83 75.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 1.0 109.798 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.83 -47.77 57.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.0 109.992 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 5.4 p -70.15 -36.58 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.04 -1.038 . . . . 1.0 109.493 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.4 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -60.36 -36.6 78.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 1.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.79 60.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.261 -0.9 . . . . 1.0 109.42 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -64.87 -42.73 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 1.0 108.992 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' A' ' 650' ' ' TYR . 4.7 t-80 -60.62 -44.03 96.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.972 . . . . 1.0 109.503 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.89 -39.48 96.97 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.677 -1.369 . . . . 1.0 109.677 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.74 74.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.071 -1.252 . . . . 1.0 110.121 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.581 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 71.0 t -70.97 -44.87 75.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 120.913 -1.117 . . . . 1.0 108.328 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.469 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 12.4 t-80 -56.75 -38.43 72.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 1.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -68.92 -28.11 66.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.595 -1.316 . . . . 1.0 108.273 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.61 -34.93 67.71 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.856 -0.794 . . . . 1.0 108.856 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.23 -39.82 53.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.0 110.06 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 44.6 mt-10 -72.33 -47.79 46.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.155 -0.966 . . . . 1.0 111.494 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.752 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -67.62 -39.79 84.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.717 -1.239 . . . . 1.0 108.893 -179.145 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . 0.752 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.74 -39.06 92.99 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.426 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -61.15 -37.6 83.44 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.429 0.633 . . . . 1.0 109.39 178.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 30.8 t -60.27 -37.74 81.37 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.481 -0.762 . . . . 1.0 110.094 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.18 86.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 1.0 110.109 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.77 -39.92 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.224 -0.923 . . . . 1.0 109.936 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 25.8 m -57.25 -36.9 71.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.048 -1.032 . . . . 1.0 109.635 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 702' ' ' LEU . 79.7 p -75.53 -5.88 47.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.329 -0.857 . . . . 1.0 110.031 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.23 148.41 2.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.148 -0.97 . . . . 1.0 109.512 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 5.2 t -85.18 177.89 7.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 1.0 109.35 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.527 ' C ' ' H ' ' A' ' 631' ' ' SER . 95.5 m-70 -124.44 177.7 5.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.0 109.55 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.68 -1.95 0.41 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 1.0 109.464 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.527 ' H ' ' C ' ' A' ' 629' ' ' HIS . 18.9 p -117.87 56.01 0.86 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.261 -0.899 . . . . 1.0 109.418 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.78 132.52 49.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 1.0 109.492 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -141.41 158.94 43.21 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.275 -0.89 . . . . 1.0 109.384 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 40.0 p -62.87 -30.69 71.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 1.0 109.64 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -47.28 84.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 1.0 109.464 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -44.9 95.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 1.0 108.36 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.34 76.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.42 94.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.0 109.332 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' A' ' 698' ' ' ASN . 5.4 tt -59.51 -47.56 85.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0 109.983 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.435 ' O ' ' OE1' ' A' ' 644' ' ' GLN . 23.1 t -60.33 -39.1 85.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.244 -0.91 . . . . 1.0 110.396 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -62.23 -45.54 92.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.0 110.115 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -74.8 -33.97 62.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.216 -0.928 . . . . 1.0 109.813 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.46 -50.2 64.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 1.0 109.403 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 644' ' ' GLN . 1.1 mp0 -63.17 -37.63 87.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.439 -0.788 . . . . 1.0 110.106 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.01 -33.16 75.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.798 -1.189 . . . . 1.0 108.222 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -38.34 79.99 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.486 -0.931 . . . . 1.0 108.486 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.33 -50.71 68.94 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -65.14 -42.81 93.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.636 ' CZ ' ' CD2' ' A' ' 610' ' ' HIS . 10.9 t80 -64.15 -35.79 81.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 1.0 110.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -31.16 72.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.972 . . . . 1.0 109.823 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 19.4 m -64.59 -38.56 91.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.052 -1.03 . . . . 1.0 109.46 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.73 -39.24 93.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 1.0 109.636 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.22 -44.78 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.171 -0.956 . . . . 1.0 110.028 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.57 -46.84 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.901 -1.124 . . . . 1.0 108.285 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -59.47 -39.0 82.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.7 -44.79 24.6 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.1 -36.46 68.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.431 -1.629 . . . . 1.0 109.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.42 -36.97 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.439 ' O ' ' CE2' ' A' ' 669' ' ' PHE . 5.1 tt -56.87 -33.88 67.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.409 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -68.34 116.73 9.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 60.2 p -78.7 161.89 26.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 1.0 109.477 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 163.9 -103.5 0.21 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.523 -1.431 . . . . 1.0 109.523 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -115.34 162.78 16.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -1.116 . . . . 1.0 109.463 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.72 58.1 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 1.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 62.17 71.38 0.82 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.606 -1.398 . . . . 1.0 109.606 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -49.34 151.05 7.12 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.019 2.48 . . . . 1.0 112.405 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -142.64 63.95 0.5 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 6.1 p90 -135.13 157.62 46.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.216 -1.167 . . . . 1.0 109.486 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 15.1 t -155.37 -161.42 1.17 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.303 -0.873 . . . . 1.0 109.771 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.15 -25.47 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 1.0 109.816 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -67.17 -46.89 72.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.216 -0.928 . . . . 1.0 109.223 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . 0.455 ' CG ' HH21 ' A' ' 676' ' ' ARG . 59.7 t0 -57.51 -34.2 68.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 1.0 109.738 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.19 -35.61 80.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 1.0 109.404 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.19 -35.99 78.65 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.192 -1.41 . . . . 1.0 107.192 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.455 HH21 ' CG ' ' A' ' 673' ' ' ASP . 64.6 mtm180 -70.75 -41.95 71.11 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.61 -47.5 59.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.013 -1.054 . . . . 1.0 108.644 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.33 -32.74 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.83 57.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 87.8 m -64.53 -37.92 89.21 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.372 -0.83 . . . . 1.0 109.106 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.591 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 33.6 t -55.79 -33.76 64.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 1.0 110.443 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -75.28 -27.89 59.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 1.0 109.95 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.37 70.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.061 -1.024 . . . . 1.0 110.844 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.502 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -57.09 -52.94 70.39 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.094 -1.004 . . . . 1.0 112.334 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.591 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.1 Cg_endo -62.85 -41.51 29.54 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.687 1.592 . . . . 1.0 112.902 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.56 -42.72 98.34 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.967 -1.083 . . . . 1.0 109.002 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -72.52 -34.12 67.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.26 -0.9 . . . . 1.0 109.43 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.95 82.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.152 -0.967 . . . . 1.0 108.957 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . 0.532 ' CB ' ' HZ1' ' A' ' 689' ' ' LYS . 7.9 mtpm? -64.65 -36.97 85.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.378 -0.826 . . . . 1.0 109.342 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.2 -45.15 85.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.457 -0.777 . . . . 1.0 109.453 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.88 -36.09 74.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.116 -0.99 . . . . 1.0 108.36 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.48 73.37 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.635 -0.876 . . . . 1.0 108.635 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 26.7 t -72.03 -42.94 65.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.443 -0.786 . . . . 1.0 109.724 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.522 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.6 m-85 -66.16 -40.65 90.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.091 -1.006 . . . . 1.0 108.408 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 699' ' ' ALA . 7.9 mp -66.26 -36.64 83.53 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 7.4 t60 -72.5 -36.21 68.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.427 -0.795 . . . . 1.0 109.734 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.61 67.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 108.906 -1.678 . . . . 1.0 108.906 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.59 HD22 ' CD1' ' A' ' 639' ' ' LEU . 3.6 p30 -125.66 8.05 7.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.415 -1.05 . . . . 1.0 109.584 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.49 -40.54 62.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.131 -0.981 . . . . 1.0 109.653 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.9 m -48.19 -32.83 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -0.945 . . . . 1.0 109.722 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.61 -39.88 13.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.184 -0.947 . . . . 1.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.46 ' O ' ' OG ' ' A' ' 626' ' ' SER . 35.4 mt -55.09 -32.23 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.763 -1.211 . . . . 1.0 108.484 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 -67.01 1.02 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 1.0 109.158 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 705' ' ' ARG . 14.0 tpt85 63.33 46.95 4.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 1.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 704' ' ' ARG . 90.7 mtm-85 49.6 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.034 -1.041 . . . . 1.0 109.469 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 43.8 p -74.51 -14.98 60.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 1.0 109.534 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.6 133.32 47.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 1.0 109.469 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.001 -0.999 . . . . 1.0 109.489 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.367 2.507 . . . . 1.0 119.367 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 83.1 p -145.58 162.51 37.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -1.165 . . . . 1.0 109.436 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -91.35 97.75 2.35 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.592 -1.403 . . . . 1.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -58.42 -39.34 79.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -1.16 . . . . 1.0 109.527 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -133.67 82.73 49.99 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.244 -0.91 . . . . 1.0 109.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -85.46 -94.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.78 2.32 . . . . 1.0 112.683 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.427 ' CD1' ' OG ' ' A' ' 622' ' ' SER . 67.6 mt -119.43 149.01 42.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.145 -0.972 . . . . 1.0 109.691 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -103.5 145.66 29.68 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.175 -1.046 . . . . 1.0 108.175 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.82 -43.17 69.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.577 -0.702 . . . . 1.0 109.398 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -63.61 -41.18 98.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.0 109.845 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.528 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.3 t -74.09 -37.49 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.677 -1.265 . . . . 1.0 107.902 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.3 -42.97 74.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.638 -0.664 . . . . 1.0 109.659 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 27.2 m -72.84 -33.57 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.376 -0.827 . . . . 1.0 110.811 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -73.05 -51.47 18.0 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.573 -1.329 . . . . 1.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.528 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -61.02 -43.58 98.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.505 -0.747 . . . . 1.0 109.828 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.24 -41.17 90.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.074 -1.016 . . . . 1.0 109.428 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.55 79.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.204 -0.935 . . . . 1.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.486 ' NH1' ' CD1' ' A' ' 564' ' ' LEU . 2.2 ttt-85 -63.27 -33.63 75.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.225 -0.922 . . . . 1.0 109.073 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.486 ' CD1' ' NH1' ' A' ' 563' ' ' ARG . 4.7 mp -67.09 -40.29 86.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.413 -0.804 . . . . 1.0 110.076 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.38 -31.89 72.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 1.0 109.92 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -77.3 -48.41 17.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 1.0 108.343 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.4 76.3 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 571' ' ' THR . 75.1 t -72.16 -48.07 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -1.227 . . . . 1.0 108.391 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.9 m -63.78 -41.59 97.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.355 -0.98 . . . . 1.0 108.355 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 59.5 m -60.97 -42.07 97.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.621 -0.674 . . . . 1.0 109.825 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 568' ' ' VAL . 12.8 p -63.0 -32.98 74.46 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.192 -0.942 . . . . 1.0 110.376 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.33 -37.85 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.926 -1.109 . . . . 1.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.85 87.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 1.0 108.56 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -58.23 -49.41 77.18 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.536 -0.727 . . . . 1.0 109.728 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.02 -48.74 75.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.375 -0.828 . . . . 1.0 109.535 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.26 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -0.775 . . . . 1.0 109.381 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.29 -39.33 82.64 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.195 -0.94 . . . . 1.0 108.872 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.92 -43.3 96.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.43 -0.794 . . . . 1.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 96.9 t -67.03 -40.54 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.935 . . . . 1.0 109.492 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 46.66 28.06 3.42 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 2.5 m 58.4 51.25 8.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -1.13 . . . . 1.0 109.43 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -58.98 -40.58 85.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.909 . . . . 1.0 109.489 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 582' ' ' ALA . 7.5 p 44.22 90.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.236 -0.915 . . . . 1.0 109.487 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -82.09 -174.15 49.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -53.91 148.76 36.7 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.821 2.347 . . . . 1.0 112.196 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -76.08 -132.95 0.43 Allowed Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.27 -35.1 59.82 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.584 -1.406 . . . . 1.0 109.584 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -69.47 152.22 45.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -1.171 . . . . 1.0 109.516 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -139.52 137.51 35.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 1.0 109.417 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 49.9 m -150.23 156.62 41.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 1.0 109.492 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 592' ' ' SER . 36.8 m -87.79 120.98 29.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.0 109.509 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 591' ' ' THR . 0.8 OUTLIER 164.47 151.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 1.0 109.471 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 48.09 75.08 0.7 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 1.0 109.649 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.8 146.53 8.33 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.811 2.341 . . . . 1.0 112.148 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -93.94 121.38 35.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 1.0 109.435 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 47.82 69.95 2.38 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.183 -0.948 . . . . 1.0 109.689 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.446 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 7.4 Cg_exo -55.57 -43.9 53.4 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.225 1.95 . . . . 1.0 113.319 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 71.7 Cg_endo -84.91 92.74 0.71 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.066 1.844 . . . . 1.0 112.027 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -34.39 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.892 . . . . 1.0 110.089 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -57.42 -37.08 72.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.293 -0.88 . . . . 1.0 109.329 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.32 -43.22 70.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.394 -0.816 . . . . 1.0 108.999 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -58.27 -35.32 71.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.35 -0.844 . . . . 1.0 109.818 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.04 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.185 -0.947 . . . . 1.0 109.994 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.56 59.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.231 -0.918 . . . . 1.0 110.254 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.48 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 1.0 109.728 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -68.54 -26.55 65.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.205 -0.934 . . . . 1.0 109.844 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.45 -51.32 44.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.236 -0.915 . . . . 1.0 109.973 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 0.9 OUTLIER -63.08 -43.04 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.129 -0.982 . . . . 1.0 109.28 -179.495 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.59 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 64.5 m170 -60.86 -43.59 98.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.0 108.87 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.61 -40.98 98.64 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 110.12 -1.192 . . . . 1.0 110.12 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.92 73.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.92 -1.341 . . . . 1.0 109.576 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.438 ' CG1' ' CD1' ' A' ' 650' ' ' TYR . 71.9 t -64.51 -46.46 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 1.0 109.145 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -53.26 -38.06 62.7 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.05 -32.54 73.07 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.23 -44.29 68.86 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.372 -1.344 . . . . 1.0 107.372 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -40.55 95.82 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.889 -1.152 . . . . 1.0 107.889 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.24 -44.54 62.74 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 1.0 109.585 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.88 -48.29 77.26 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.059 -1.026 . . . . 1.0 108.644 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.08 95.84 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.439 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.36 -42.92 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.678 -0.639 . . . . 1.0 109.464 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' SER . . . . . 0.427 ' OG ' ' CD1' ' A' ' 552' ' ' LEU . 1.5 p -64.48 -39.68 94.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.31 -0.869 . . . . 1.0 109.056 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.69 -47.66 81.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.332 -0.855 . . . . 1.0 109.51 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.16 -35.55 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.248 -0.908 . . . . 1.0 109.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 28.2 t -51.74 -32.73 31.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.244 -0.91 . . . . 1.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 51.5 p -81.93 4.83 21.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.113 -0.992 . . . . 1.0 108.911 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -59.88 -96.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.387 -0.821 . . . . 1.0 109.746 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 1.2 m 46.35 31.17 1.19 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 1.0 109.377 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -96.41 9.32 41.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 47.32 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 1.0 109.32 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 8.4 t 46.38 87.48 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.0 109.477 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.1 141.0 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.286 -0.884 . . . . 1.0 109.448 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -127.74 169.39 13.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 1.0 109.385 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 21.4 m -60.37 -35.12 74.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 1.0 109.6 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.75 -48.26 80.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 1.0 109.468 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 640' ' ' SER . 75.7 m80 -58.22 -44.03 87.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.331 -0.988 . . . . 1.0 108.331 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.44 67.64 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.507 -0.746 . . . . 1.0 109.004 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.46 -44.58 96.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.345 -0.847 . . . . 1.0 109.509 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.484 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.5 tt -71.16 -46.43 61.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -0.823 . . . . 1.0 109.3 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 636' ' ' HIS . 44.6 t -58.1 -42.2 85.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 1.0 109.765 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -58.7 -45.57 89.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.078 -1.014 . . . . 1.0 109.949 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 694' ' ' PHE . 27.1 mt-30 -70.17 -33.42 71.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 1.0 110.216 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.75 -48.17 72.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.147 -0.971 . . . . 1.0 109.816 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.84 -37.49 81.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.282 -0.886 . . . . 1.0 108.966 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -66.72 -36.01 81.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.24 -37.15 83.08 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.042 -1.095 . . . . 1.0 108.042 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -63.2 -52.42 62.37 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.654 0.74 . . . . 1.0 109.168 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -67.43 -43.9 80.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.615 -0.678 . . . . 1.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 23.2 t -61.19 -45.09 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.282 -0.886 . . . . 1.0 110.113 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.59 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 36.6 t80 -69.76 -35.69 75.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.98 -1.075 . . . . 1.0 110.671 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.29 -36.01 68.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.674 -1.266 . . . . 1.0 109.937 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 50.5 m -61.69 -43.29 99.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 1.0 109.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 657' ' ' GLY . 86.7 mt -68.89 -36.58 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 1.0 109.694 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.09 -44.23 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.595 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.35 -44.19 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.078 -1.014 . . . . 1.0 108.441 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -65.27 -36.34 83.82 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 107.586 -1.264 . . . . 1.0 107.586 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -73.89 -43.68 33.61 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.389 -1.484 . . . . 1.0 109.389 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -55.73 -30.54 61.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -1.169 . . . . 1.0 109.565 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.56 -36.65 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 1.0 110.009 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.55 ' O ' ' CE1' ' A' ' 669' ' ' PHE . 1.1 pp -51.2 -25.47 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.114 -0.991 . . . . 1.0 109.513 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -78.21 117.2 19.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.391 -0.818 . . . . 1.0 109.762 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m -63.08 154.85 29.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.144 -0.973 . . . . 1.0 109.499 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -149.07 -179.75 25.21 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.611 -1.395 . . . . 1.0 109.611 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -76.93 -7.37 55.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -1.156 . . . . 1.0 109.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.51 -42.38 89.92 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.507 -1.437 . . . . 1.0 109.507 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . 128.23 -51.13 0.86 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.476 -1.449 . . . . 1.0 109.476 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 31.7 Cg_exo -57.7 152.99 45.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.979 2.453 . . . . 1.0 112.132 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.08 9.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.713 -1.355 . . . . 1.0 109.713 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 50.4 p90 -133.98 163.75 28.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -1.092 . . . . 1.0 109.53 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 19.7 p -134.19 -175.73 3.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -0.889 . . . . 1.0 110.028 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.72 -23.91 13.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.0 109.722 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -66.22 -44.74 82.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.173 -0.954 . . . . 1.0 108.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -57.88 -35.33 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 1.0 109.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -60.24 -42.76 95.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.297 -0.877 . . . . 1.0 109.025 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.32 -35.78 76.4 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.321 -1.363 . . . . 1.0 107.321 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.487 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 91.0 mtt-85 -73.7 -38.92 64.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.67 -49.63 61.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.932 -1.105 . . . . 1.0 108.58 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 67.2 t -55.24 -31.03 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.55 80.63 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 10.1 m -65.28 -41.77 93.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.403 -0.81 . . . . 1.0 108.924 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.657 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.05 -31.95 65.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 1.0 110.271 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.45 -32.04 58.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.755 -1.216 . . . . 1.0 109.508 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.139 -0.976 . . . . 1.0 110.906 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -51.29 82.14 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.815 -1.178 . . . . 1.0 112.276 -176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.657 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.8 Cg_exo -66.41 -42.01 10.84 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.569 1.512 . . . . 1.0 112.481 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.65 -44.36 94.04 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.059 -1.026 . . . . 1.0 108.953 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.83 -37.65 64.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -0.797 . . . . 1.0 110.597 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.68 97.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.799 -1.188 . . . . 1.0 109.291 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -65.68 -38.69 89.96 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.16 -0.962 . . . . 1.0 108.99 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -59.67 -45.49 91.9 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -0.892 . . . . 1.0 108.986 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.9 -36.98 75.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 1.0 108.703 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.93 81.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.285 -0.884 . . . . 1.0 109.193 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.8 m -68.57 -43.56 76.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.905 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.539 ' CZ ' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -64.6 -36.32 83.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.098 -1.002 . . . . 1.0 109.038 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.4 mp -61.08 -37.63 83.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 1.0 108.925 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -61.33 -45.6 93.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.927 . . . . 1.0 110.46 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.07 -21.18 75.4 Favored Glycine 0 N--CA 1.495 2.579 0 C-N-CA 119.993 -1.098 . . . . 1.0 110.416 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.1 OUTLIER -111.84 2.6 17.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.876 -1.367 . . . . 1.0 110.15 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.18 -22.42 60.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.109 -0.995 . . . . 1.0 109.458 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 41.5 t -67.73 -46.98 70.62 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.2 mp -101.59 -20.28 15.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.473 -0.767 . . . . 1.0 110.146 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 698' ' ' ASN . 48.8 tp -65.73 -26.87 67.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.836 -1.165 . . . . 1.0 108.613 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.56 -74.27 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.437 -0.79 . . . . 1.0 109.42 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -89.87 -118.26 0.06 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.0 109.763 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.3 -25.76 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 1.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 24.5 p -85.15 162.67 19.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 1.0 109.417 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -72.64 166.21 23.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 1.0 109.387 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.964 -1.017 . . . . 1.0 109.518 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.885 0 N-CA-C 119.368 2.507 . . . . 1.0 119.368 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 33.0 t -59.49 -33.83 71.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -1.144 . . . . 1.0 109.445 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -63.98 124.62 30.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -97.24 5.23 50.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.2 -1.176 . . . . 1.0 109.399 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -118.06 87.58 29.11 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.256 -0.903 . . . . 1.0 109.651 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.39 -65.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.056 1.837 . . . . 1.0 112.605 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 13.9 mt -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.493 -0.754 . . . . 1.0 109.187 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -103.97 148.12 26.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.13 -0.981 . . . . 1.0 109.317 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.85 -40.58 73.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.454 -0.779 . . . . 1.0 109.594 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.47 -42.41 83.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.427 -0.796 . . . . 1.0 110.493 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.649 ' O ' ' OG1' ' A' ' 560' ' ' THR . 76.5 t -69.98 -48.49 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.639 -1.288 . . . . 1.0 107.549 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.66 -40.24 71.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.446 -0.946 . . . . 1.0 108.446 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.94 -35.98 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.448 -0.782 . . . . 1.0 109.62 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.95 -48.54 44.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.927 -1.108 . . . . 1.0 108.78 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.649 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.9 -45.05 95.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.777 -0.577 . . . . 1.0 110.152 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.4 -28.87 69.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.241 -0.912 . . . . 1.0 109.859 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.2 81.59 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.81 . . . . 1.0 109.435 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 62.3 mtm-85 -66.47 -32.13 73.3 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.285 -0.884 . . . . 1.0 109.449 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.59 -41.25 65.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 1.0 109.247 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.76 -36.19 76.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 1.0 110.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -79.14 -43.09 24.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.577 -1.327 . . . . 1.0 108.889 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.41 82.11 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 108.76 -1.736 . . . . 1.0 108.76 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 80.6 t -71.06 -49.04 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.353 -1.086 . . . . 1.0 108.938 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 13.9 m -66.34 -38.54 87.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 1.0 108.71 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.3 m -61.59 -42.57 99.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.685 . . . . 1.0 109.947 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 35.3 p -66.03 -33.51 75.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.179 -0.95 . . . . 1.0 109.718 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.79 -38.76 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.0 109.228 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.68 -38.65 82.12 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.15 -51.56 67.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.649 -0.657 . . . . 1.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -49.15 77.48 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.368 -0.832 . . . . 1.0 109.608 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.0 -36.34 81.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 1.0 109.184 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.7 m-20 -60.0 -39.79 86.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.892 . . . . 1.0 109.15 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.62 -37.79 87.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.383 -0.823 . . . . 1.0 109.353 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.27 -40.69 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 1.0 109.507 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -57.51 -38.85 89.36 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 83.2 p -66.59 -26.66 67.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.319 -1.106 . . . . 1.0 109.477 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -64.06 -26.01 68.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.0 109.475 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 582' ' ' ALA . 6.1 t 50.47 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.0 109.387 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -59.74 166.1 10.19 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.07 -24.33 76.47 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.796 2.33 . . . . 1.0 112.201 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 48.25 -172.33 0.05 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.565 -1.414 . . . . 1.0 109.565 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.69 67.96 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.479 -1.448 . . . . 1.0 109.479 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -147.16 170.28 17.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.258 -1.142 . . . . 1.0 109.437 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -147.05 153.11 39.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.152 -0.968 . . . . 1.0 109.505 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 14.2 m -73.18 -74.53 0.17 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 1.0 109.535 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 162.63 35.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 1.0 109.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 34.7 t -101.3 144.3 30.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.0 109.522 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -132.58 159.67 71.48 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.335 -0.853 . . . . 1.0 109.296 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.27 142.54 2.63 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.478 2.119 . . . . 1.0 112.327 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -139.52 19.52 2.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -0.922 . . . . 1.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.0 OUTLIER -99.08 -45.91 0.22 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 1.0 110.156 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.671 ' C ' ' H ' ' A' ' 599' ' ' VAL . 46.2 Cg_exo -54.95 -41.57 77.4 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.563 2.176 . . . . 1.0 111.878 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 53.3 Cg_exo -53.0 8.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.973 1.782 . . . . 1.0 112.137 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . 0.671 ' H ' ' C ' ' A' ' 597' ' ' PRO . 2.3 m -58.22 -40.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.256 -0.903 . . . . 1.0 109.72 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.26 -45.43 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -0.973 . . . . 1.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.15 -37.95 78.52 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.474 -0.766 . . . . 1.0 109.104 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.6 tt -74.56 -41.66 60.15 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.46 -0.775 . . . . 1.0 109.106 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -32.02 73.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.531 -0.73 . . . . 1.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.8 57.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.0 109.902 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.99 -47.67 64.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.0 110.135 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 2.7 p -61.13 -35.73 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.007 . . . . 1.0 109.808 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -69.77 -28.57 65.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 1.0 109.842 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.71 -52.83 33.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 1.0 110.191 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 2.7 p -63.43 -43.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.935 -1.103 . . . . 1.0 109.565 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.724 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 7.2 t-80 -60.49 -47.44 86.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.123 -0.986 . . . . 1.0 108.973 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.22 -40.77 96.23 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 109.144 -1.582 . . . . 1.0 109.144 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.04 77.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -1.125 . . . . 1.0 109.776 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.43 -44.61 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.927 -1.108 . . . . 1.0 108.876 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -36.98 61.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -0.758 . . . . 1.0 109.666 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.25 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.266 -1.012 . . . . 1.0 108.266 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.65 -44.07 82.88 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -45.02 95.78 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.856 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.72 -45.13 60.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.95 -1.094 . . . . 1.0 111.125 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.42 -47.56 83.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.748 -1.22 . . . . 1.0 109.69 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.1 89.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.99 -1.069 . . . . 1.0 109.589 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -38.74 82.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.163 -0.961 . . . . 1.0 109.078 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' A' ' 625' ' ' SER . 24.2 m -57.78 -42.93 85.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 1.0 108.369 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.75 76.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 1.0 109.794 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.07 -35.53 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.948 . . . . 1.0 109.709 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' SER . . . . . 0.472 ' HG ' ' N ' ' A' ' 626' ' ' SER . 84.8 p -59.31 -33.36 71.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 1.0 109.618 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.472 ' N ' ' HG ' ' A' ' 625' ' ' SER . 92.3 p -66.94 -25.23 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.963 . . . . 1.0 108.921 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -75.76 129.69 37.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.372 -0.83 . . . . 1.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -4.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.203 -0.935 . . . . 1.0 109.48 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -105.12 166.9 10.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 1.0 109.424 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 1.6 p 57.83 165.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.0 109.441 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 60.4 p -73.38 164.96 25.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 1.0 109.415 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.33 138.44 56.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.279 -0.888 . . . . 1.0 109.398 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -108.05 165.46 11.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.926 . . . . 1.0 109.372 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.3 p -59.47 -33.32 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 1.0 109.497 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 69.1 mt -58.06 -46.25 85.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 1.0 109.43 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -62.91 -45.6 91.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.193 -0.942 . . . . 1.0 108.541 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.94 75.24 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -63.69 -46.02 87.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.447 -0.783 . . . . 1.0 109.178 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 27.0 tp -62.97 -46.54 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 1.0 109.442 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -42.26 98.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.158 -0.964 . . . . 1.0 109.293 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.47 -44.35 97.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 1.0 109.631 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -72.05 -47.01 54.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 1.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.24 -45.17 91.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.409 -0.807 . . . . 1.0 110.003 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.64 -32.04 73.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.112 -0.993 . . . . 1.0 109.024 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.407 ' O ' ' CG2' ' A' ' 649' ' ' VAL . 0.0 OUTLIER -65.57 -39.65 91.9 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.83 -38.92 90.2 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -60.68 -51.23 70.24 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.59 0.709 . . . . 1.0 109.102 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -66.26 -41.72 89.5 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.572 -0.705 . . . . 1.0 109.266 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 645' ' ' LYS . 92.1 t -65.65 -39.17 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 1.0 110.088 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.724 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 6.0 t80 -63.5 -35.48 80.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.949 -1.094 . . . . 1.0 110.037 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.37 -31.8 72.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.048 -1.033 . . . . 1.0 109.725 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.5 m -64.95 -37.9 89.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.13 -0.981 . . . . 1.0 109.266 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 657' ' ' GLY . 5.2 mt -65.79 -37.05 85.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.361 -0.837 . . . . 1.0 109.562 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 658' ' ' GLN . 77.7 t -60.18 -43.27 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.017 . . . . 1.0 109.254 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.06 -46.97 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.031 -1.043 . . . . 1.0 108.423 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.35 -36.81 83.4 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.766 -1.198 . . . . 1.0 107.766 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -75.26 -40.55 33.55 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.0 mm-40 -54.7 -30.03 54.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -1.217 . . . . 1.0 109.223 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.54 -39.54 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 1.0 109.628 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.6 tt -81.01 75.45 7.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -0.85 . . . . 1.0 109.411 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 662' ' ' SER . 48.5 t0 -173.5 -117.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 1.0 109.515 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.488 ' H ' ' CG ' ' A' ' 661' ' ' ASP . 30.9 t -153.88 -120.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 1.0 109.524 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . 0.424 ' N ' ' OG ' ' A' ' 662' ' ' SER . . . 88.43 -165.06 33.67 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.608 -1.397 . . . . 1.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -55.3 141.82 34.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.223 -1.163 . . . . 1.0 109.606 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.65 -168.36 54.74 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.624 -1.39 . . . . 1.0 109.624 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -139.26 72.48 0.42 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.01 149.52 70.35 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.945 2.43 . . . . 1.0 112.141 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -138.06 159.18 25.03 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.62 -1.392 . . . . 1.0 109.62 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -144.92 166.06 26.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.317 -1.108 . . . . 1.0 109.546 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 11.0 p -127.94 173.52 9.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.25 -0.906 . . . . 1.0 109.982 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.63 -26.11 30.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 1.0 109.554 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.91 -47.13 72.73 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.225 -0.922 . . . . 1.0 108.833 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -56.84 -36.68 70.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.4 -0.812 . . . . 1.0 109.59 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.08 -35.08 80.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.29 -0.881 . . . . 1.0 109.171 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.61 -36.63 79.05 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.063 -1.458 . . . . 1.0 107.063 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.487 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 19.8 mtp-105 -73.65 -37.11 65.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.8 -48.71 58.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.059 . . . . 1.0 108.643 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.58 -30.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 107.763 -1.199 . . . . 1.0 107.763 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.58 -47.69 58.95 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.734 -0.839 . . . . 1.0 108.734 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 16.3 m -67.68 -42.56 81.89 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.246 -0.909 . . . . 1.0 109.107 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.67 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -59.62 -31.22 69.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.885 . . . . 1.0 110.259 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -75.13 -26.96 59.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.887 -1.133 . . . . 1.0 110.003 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.5 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.13 -0.981 . . . . 1.0 111.894 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 1.7 t -63.63 -49.38 77.46 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.772 -1.205 . . . . 1.0 112.515 -178.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.67 ' CD ' ' O ' ' A' ' 681' ' ' SER . 19.0 Cg_endo -64.05 -43.21 16.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.717 1.612 . . . . 1.0 112.456 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -66.24 -37.72 86.19 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -73.12 -32.13 64.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.786 -0.82 . . . . 1.0 108.786 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.04 89.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.288 -0.882 . . . . 1.0 108.699 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -42.01 87.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.445 -0.784 . . . . 1.0 109.138 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.31 -42.08 99.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.842 . . . . 1.0 108.968 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.95 -33.69 73.59 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.242 -1.021 . . . . 1.0 108.242 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.87 72.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 22.5 m -65.83 -39.94 91.3 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.402 -0.812 . . . . 1.0 109.337 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -65.08 -32.9 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.0 108.895 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 702' ' ' LEU . 3.2 mm? -61.24 -38.75 87.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.283 -0.886 . . . . 1.0 109.242 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -66.64 -44.64 81.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.199 -0.938 . . . . 1.0 110.645 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.07 -24.79 65.44 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.765 -1.334 . . . . 1.0 109.765 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.561 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -109.0 1.01 20.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.125 -1.221 . . . . 1.0 109.31 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.36 67.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.336 -0.853 . . . . 1.0 109.555 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -49.11 77.18 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.184 -0.947 . . . . 1.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.2 -13.94 16.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.211 -0.93 . . . . 1.0 111.204 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 695' ' ' LEU . 60.8 tp -66.75 -29.96 70.06 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.757 -1.214 . . . . 1.0 108.716 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.56 -88.11 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -173.14 105.98 0.14 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.459 -0.776 . . . . 1.0 109.438 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -67.09 143.48 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 1.0 109.232 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 26.8 p -113.99 165.99 12.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 1.0 109.574 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -81.98 139.29 34.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 1.0 109.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 118.036 -0.983 . . . . 1.0 109.49 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.465 2.546 . . . . 1.0 119.465 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 97.3 p -63.31 -20.16 65.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -1.158 . . . . 1.0 109.408 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.09 -177.02 15.06 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -58.41 145.74 37.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -1.132 . . . . 1.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -128.53 83.88 64.83 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.292 -0.88 . . . . 1.0 109.194 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -82.06 158.04 17.89 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.426 2.084 . . . . 1.0 112.525 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.54 125.88 46.93 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.06 -0.718 . . . . 1.0 109.06 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.91 169.25 10.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 1.0 109.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.32 -43.2 74.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 1.0 110.339 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 555' ' ' GLU . 58.2 mp0 -63.09 -42.94 99.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 1.0 110.189 -178.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.8 t -71.45 -36.09 59.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.817 -1.179 . . . . 1.0 107.817 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.54 72.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.674 -0.641 . . . . 1.0 110.684 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.8 m -69.65 -34.57 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.398 -1.439 . . . . 1.0 108.382 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -72.14 -51.26 22.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 1.0 108.845 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -59.98 -49.31 78.19 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.395 -0.816 . . . . 1.0 110.127 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -35.2 78.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.856 -1.152 . . . . 1.0 109.428 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 1.0 109.751 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -62.14 -31.75 72.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.099 -1.0 . . . . 1.0 109.492 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.489 ' N ' HD13 ' A' ' 564' ' ' LEU . 3.2 mp -67.09 -40.74 87.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.465 -0.772 . . . . 1.0 109.858 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.71 -32.02 73.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.362 -0.836 . . . . 1.0 109.594 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -77.87 -51.19 10.85 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.189 -0.944 . . . . 1.0 108.634 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -64.49 -33.88 88.42 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.212 -1.155 . . . . 1.0 110.212 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.36 -48.66 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.903 -1.351 . . . . 1.0 108.808 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.91 -38.64 86.6 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.79 -0.818 . . . . 1.0 108.79 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 m -61.85 -43.49 98.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.51 -0.744 . . . . 1.0 109.865 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 77.8 p -65.87 -35.57 81.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 1.0 109.721 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.1 t -61.4 -36.83 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.166 -0.958 . . . . 1.0 109.224 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.44 -38.12 79.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.134 -0.979 . . . . 1.0 108.561 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -55.78 -51.63 66.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.572 -0.705 . . . . 1.0 109.585 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.68 -49.67 76.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.365 -0.834 . . . . 1.0 109.371 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.49 -36.02 82.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.515 -0.741 . . . . 1.0 109.645 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 573' ' ' ALA . 54.2 t0 -72.76 -37.31 67.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.133 -0.979 . . . . 1.0 109.087 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 8.6 tp -69.82 -44.28 70.31 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 1.0 109.342 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.11 -15.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.0 109.438 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -46.56 -37.48 8.75 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 582' ' ' ALA . 27.6 m -60.32 -35.58 75.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -1.172 . . . . 1.0 109.496 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 581' ' ' SER . . . 48.98 -175.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.216 -0.928 . . . . 1.0 109.491 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 23.7 t -59.56 -34.44 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.216 -0.927 . . . . 1.0 109.459 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 91.09 -167.66 31.88 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.509 -1.436 . . . . 1.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -52.95 153.16 15.97 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.741 2.294 . . . . 1.0 112.357 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 105.97 -47.63 1.04 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 61.56 -119.39 18.16 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.547 -1.421 . . . . 1.0 109.547 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -92.04 143.8 26.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -1.115 . . . . 1.0 109.532 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -146.23 -86.52 0.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 1.0 109.411 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 13.7 p -110.23 12.46 23.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.27 -0.894 . . . . 1.0 109.586 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 2.9 m 46.83 39.77 7.89 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 1.0 109.512 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 34.5 t -108.65 144.72 36.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 1.0 109.435 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.77 68.33 2.69 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.173 -0.954 . . . . 1.0 109.483 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.77 -30.91 24.3 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.724 2.283 . . . . 1.0 112.359 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -111.85 123.5 50.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.89 . . . . 1.0 109.298 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 1.7 tm-20 -106.84 -43.04 0.13 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 1.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 3.3 Cg_endo -74.45 158.88 43.91 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.104 1.87 . . . . 1.0 112.84 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.26 125.38 16.2 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.926 1.751 . . . . 1.0 111.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.4 t -71.56 -37.97 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.402 -0.811 . . . . 1.0 109.915 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 601' ' ' ASP . 18.0 pt20 -56.66 -42.05 78.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.253 -0.904 . . . . 1.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 600' ' ' GLN . 48.3 t0 -61.96 -39.24 91.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.326 -0.859 . . . . 1.0 109.575 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 42.8 tp -67.05 -42.04 85.47 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.287 -0.883 . . . . 1.0 109.612 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -71.0 -31.49 68.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0 109.534 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.93 -46.43 52.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 1.0 110.025 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.76 81.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.987 . . . . 1.0 110.089 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.61 -36.4 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.066 -1.021 . . . . 1.0 109.542 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.32 -34.19 70.33 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.0 109.591 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.8 -45.21 71.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.0 109.866 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -61.71 -41.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.0 109.149 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.612 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.2 m80 -64.01 -41.83 97.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 1.0 109.123 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.71 97.78 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.893 -1.283 . . . . 1.0 109.893 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.76 70.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.978 -1.307 . . . . 1.0 109.617 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 86.3 t -70.81 -47.16 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 1.0 108.836 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -54.7 -34.5 62.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.211 -0.93 . . . . 1.0 108.679 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -29.44 67.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.154 -0.966 . . . . 1.0 108.807 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 16.1 tp -71.39 -43.94 65.9 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.6 -34.43 75.62 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.177 -1.046 . . . . 1.0 108.177 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.52 -44.21 62.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.621 -0.675 . . . . 1.0 109.937 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -62.77 -46.48 87.82 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.862 -1.149 . . . . 1.0 108.205 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.55 89.69 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.55 -46.54 87.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.685 -0.634 . . . . 1.0 109.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.8 t -58.78 -39.47 81.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.9 . . . . 1.0 109.095 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.93 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.455 -0.778 . . . . 1.0 109.716 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 84.2 t -66.22 -42.85 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 1.0 109.616 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 23.3 t -60.18 -35.5 75.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 40.4 t -85.4 8.95 17.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 1.0 109.26 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -77.79 124.97 28.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.0 109.447 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 37.7 m -138.63 128.18 24.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 1.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 630' ' ' THR . 53.7 t-80 -163.1 172.91 14.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 1.0 109.494 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.533 ' O ' ' ND1' ' A' ' 629' ' ' HIS . 15.9 p -116.35 166.43 12.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 1.0 109.472 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 632' ' ' ASP . 0.2 OUTLIER 48.87 20.24 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 1.0 109.522 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 631' ' ' SER . 91.4 m-20 52.62 173.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.266 -0.896 . . . . 1.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -143.21 142.56 31.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.287 -0.883 . . . . 1.0 109.447 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 57.8 p -63.02 -38.59 91.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 1.0 109.649 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 635' ' ' LEU . 10.1 mp -58.49 -45.5 88.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -63.24 -43.02 99.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.092 -1.005 . . . . 1.0 108.35 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.81 78.07 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.76 -0.83 . . . . 1.0 108.76 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -44.47 92.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.467 -0.771 . . . . 1.0 109.109 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 62.1 tp -59.27 -46.99 87.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.0 109.709 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 13.5 t -61.91 -46.92 87.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.206 -0.934 . . . . 1.0 109.994 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -61.5 -47.2 86.7 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.448 -0.782 . . . . 1.0 110.335 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.58 -43.25 66.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.054 -1.029 . . . . 1.0 109.929 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.18 -43.35 78.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.244 -0.91 . . . . 1.0 109.777 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 1.0 108.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.0 -40.19 95.81 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 107.914 -1.143 . . . . 1.0 107.914 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.74 -38.14 86.04 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.193 -1.039 . . . . 1.0 108.193 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -60.59 -50.76 72.23 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.915 -0.772 . . . . 1.0 108.915 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.41 -41.85 88.67 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.158 -0.617 . . . . 1.0 109.401 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.44 -41.62 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 1.0 110.282 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.612 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 19.8 t80 -58.47 -36.61 73.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.936 -1.103 . . . . 1.0 109.736 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.98 -32.82 71.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 1.0 109.133 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 63.7 m -65.91 -37.02 84.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.198 -0.939 . . . . 1.0 109.126 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.61 -34.59 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 1.0 109.432 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 75.2 t -59.17 -42.7 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 1.0 109.647 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.76 -43.16 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.039 -1.038 . . . . 1.0 108.528 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -63.85 -37.11 86.16 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.551 -1.277 . . . . 1.0 107.551 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -75.56 -41.86 28.52 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.501 -1.44 . . . . 1.0 109.501 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 5.7 mm-40 -55.06 -22.1 14.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.178 -1.189 . . . . 1.0 109.597 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.53 -31.65 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 1.0 110.027 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 95.3 mt -53.27 -34.8 58.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.1 -1.0 . . . . 1.0 109.608 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -75.93 87.3 2.89 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 1.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 664' ' ' ARG . 87.0 p -64.25 -32.14 73.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.0 109.624 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.36 -7.68 0.56 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.582 ' H ' ' C ' ' A' ' 662' ' ' SER . 83.0 mtp180 -143.9 149.13 36.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.175 -1.191 . . . . 1.0 109.538 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.22 -9.39 1.45 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.454 -1.458 . . . . 1.0 109.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 664' ' ' ARG . . . -47.69 167.14 0.12 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.627 -1.389 . . . . 1.0 109.627 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.34 -25.71 74.09 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.964 2.443 . . . . 1.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 63.96 -96.59 0.2 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.381 -1.487 . . . . 1.0 109.381 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -133.21 168.55 18.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -1.168 . . . . 1.0 109.585 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.4 p -116.15 175.41 5.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.126 -0.984 . . . . 1.0 109.78 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.88 -25.54 43.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 1.0 109.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.0 -47.62 83.96 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.33 -0.856 . . . . 1.0 109.178 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.21 -32.89 64.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.305 -0.872 . . . . 1.0 109.67 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.73 -39.4 93.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 1.0 109.255 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.36 -36.02 74.97 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.251 -1.389 . . . . 1.0 107.251 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -71.07 -41.39 70.78 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.815 -0.553 . . . . 1.0 109.569 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.67 -48.29 55.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.972 -1.08 . . . . 1.0 109.035 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.6 -32.18 36.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 682' ' ' ARG . . . -71.1 -31.82 68.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -41.93 25.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.314 -0.866 . . . . 1.0 109.391 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.666 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -56.42 -35.15 67.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.27 -0.893 . . . . 1.0 110.492 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 679' ' ' ALA . 1.9 ptt180 -78.82 -29.03 44.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.743 -1.223 . . . . 1.0 110.224 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.75 64.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.053 -1.029 . . . . 1.0 111.35 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.412 ' N ' ' CD ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -65.81 -48.66 62.27 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.024 -1.048 . . . . 1.0 112.406 -177.079 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.666 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.2 Cg_exo -68.32 -43.38 4.47 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 121.89 1.727 . . . . 1.0 112.872 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 690' ' ' GLN . 0.4 OUTLIER -61.46 -37.18 82.65 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.891 -1.131 . . . . 1.0 108.199 179.644 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.54 -30.89 61.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.666 -0.646 . . . . 1.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.16 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.14 -0.975 . . . . 1.0 108.503 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -65.1 -38.03 89.41 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 686' ' ' GLU . 70.4 mt-30 -60.11 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.687 -0.857 . . . . 1.0 108.687 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.99 -35.29 72.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.04 85.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.644 -0.66 . . . . 1.0 109.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 36.8 t -71.53 -43.69 65.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.981 . . . . 1.0 110.072 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.582 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -69.09 -37.02 78.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 1.0 108.79 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 699' ' ' ALA . 3.0 tp -65.68 -36.19 82.93 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.829 -1.175 . . . . 1.0 107.829 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.01 -38.06 72.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.53 -0.731 . . . . 1.0 109.367 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.07 -25.05 65.75 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.869 -1.692 . . . . 1.0 108.869 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.582 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.69 0.57 10.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -1.049 . . . . 1.0 109.521 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.23 -37.68 48.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 1.0 109.401 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 34.0 m -51.98 -35.6 46.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.259 -0.901 . . . . 1.0 109.777 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 8.5 mp -90.07 -38.61 13.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -0.979 . . . . 1.0 110.607 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 78.6 mt -52.21 -32.95 38.91 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.028 -1.101 . . . . 1.0 108.028 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 705' ' ' ARG . 13.0 m-85 -117.12 -72.82 0.67 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 63.95 1.2 1.09 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 1.0 109.847 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 703' ' ' PHE . 67.4 mmt-85 -56.78 -30.68 63.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 1.0 109.295 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 41.3 p -53.04 135.73 36.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 1.0 109.504 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? 52.21 42.81 30.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.0 109.493 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 117.983 -1.008 . . . . 1.0 109.47 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.835 0 N-CA-C 119.439 2.536 . . . . 1.0 119.439 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 86.9 p -62.67 -25.7 68.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.275 -1.132 . . . . 1.0 109.487 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 98.46 130.36 6.8 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.544 -1.422 . . . . 1.0 109.544 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.23 -34.77 68.92 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -1.173 . . . . 1.0 109.373 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 49.38 80.16 0.31 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.331 -0.856 . . . . 1.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -80.55 145.25 16.35 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.817 2.344 . . . . 1.0 112.37 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 57.4 mt -109.44 151.71 26.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 1.0 109.174 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -100.44 165.17 11.57 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.86 . . . . 1.0 108.919 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.19 -45.28 83.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.57 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.3 mt-10 -66.13 -46.83 76.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 1.0 110.295 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.507 ' O ' ' OG1' ' A' ' 560' ' ' THR . 78.2 t -67.33 -49.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.751 -1.218 . . . . 1.0 108.546 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.57 66.73 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.604 -0.685 . . . . 1.0 110.413 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.59 -45.11 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.634 -1.291 . . . . 1.0 108.81 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.5 OUTLIER -73.54 -46.74 45.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.464 -0.773 . . . . 1.0 110.366 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.507 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.67 -41.27 88.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.953 -1.092 . . . . 1.0 110.691 -178.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.64 -31.96 72.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.583 -1.323 . . . . 1.0 108.188 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.627 -0.67 . . . . 1.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -66.14 -33.94 76.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 1.0 109.238 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' ' 564' ' ' LEU . 2.3 mp -64.7 -42.15 95.5 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 1.0 109.8 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.9 -33.28 73.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.353 -0.842 . . . . 1.0 110.68 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.426 ' O ' ' OG1' ' A' ' 570' ' ' THR . 98.4 mt-30 -78.77 -45.39 21.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.84 -1.163 . . . . 1.0 108.415 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.4 83.25 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.441 -1.463 . . . . 1.0 109.441 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 64.3 t -71.15 -48.52 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.304 . . . . 1.0 108.537 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 85.4 p -66.21 -37.02 84.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.166 -0.959 . . . . 1.0 108.754 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 61.7 m -62.79 -42.57 99.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.611 -0.681 . . . . 1.0 110.315 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 18.1 p -68.0 -36.88 80.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.103 -0.998 . . . . 1.0 110.519 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.3 -35.83 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.948 -1.095 . . . . 1.0 109.36 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.67 -38.88 82.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.097 -1.002 . . . . 1.0 108.543 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -58.24 -49.76 75.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.647 -0.658 . . . . 1.0 109.762 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.04 -49.22 77.64 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.274 -0.891 . . . . 1.0 109.334 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.97 -41.57 70.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.446 -0.784 . . . . 1.0 109.336 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.8 m-20 -59.92 -43.32 94.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.301 -0.874 . . . . 1.0 109.055 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.39 -41.13 94.02 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 1.0 109.458 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.27 -41.8 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.0 109.652 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 581' ' ' SER . . . 60.33 33.66 81.63 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.699 -1.36 . . . . 1.0 109.699 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 580' ' ' GLY . 0.5 OUTLIER 69.05 18.79 8.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -1.16 . . . . 1.0 109.381 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 583' ' ' SER . . . 47.32 -124.59 1.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 1.0 109.497 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 582' ' ' ALA . 3.6 m 47.1 93.64 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.31 -0.869 . . . . 1.0 109.496 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -69.07 167.04 46.81 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.56 -17.42 58.24 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.829 2.353 . . . . 1.0 112.181 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 588' ' ' TRP . . . -54.0 156.47 6.45 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 588' ' ' TRP . . . -74.45 32.06 0.99 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.514 -1.434 . . . . 1.0 109.514 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . 0.5 ' H ' ' C ' ' A' ' 586' ' ' GLY . 0.0 OUTLIER 53.11 176.93 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -1.169 . . . . 1.0 109.457 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 57.55 46.87 17.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 1.0 109.455 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 47.0 m -124.44 148.58 47.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 1.0 109.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 592' ' ' SER . 29.0 p -82.25 161.02 22.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.263 -0.898 . . . . 1.0 109.484 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 591' ' ' THR . 0.5 OUTLIER 53.92 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 1.0 109.408 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.16 60.93 52.32 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 1.0 109.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.72 153.74 54.01 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.696 2.264 . . . . 1.0 112.164 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.01 142.96 53.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 1.0 109.427 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 2.3 mt-10 -109.71 -43.29 0.11 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.236 -0.915 . . . . 1.0 110.742 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 14.1 Cg_exo -65.0 141.49 70.69 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.951 1.767 . . . . 1.0 111.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -40.7 124.77 1.96 Allowed 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.513 2.142 . . . . 1.0 112.212 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.65 -34.06 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.928 . . . . 1.0 109.688 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -56.06 -37.17 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 1.0 109.334 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.54 -38.74 91.21 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.295 -0.878 . . . . 1.0 109.216 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 29.6 tp -69.55 -43.43 72.97 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.32 -0.862 . . . . 1.0 108.934 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -61.85 -33.75 74.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.463 -0.773 . . . . 1.0 109.457 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.56 73.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.28 73.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 1.0 110.22 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.35 -36.38 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 1.0 109.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.93 76.9 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.91 . . . . 1.0 109.424 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.04 72.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.0 110.049 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 610' ' ' HIS . 0.3 OUTLIER -61.19 -42.36 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.0 109.845 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.564 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 24.1 m-70 -60.34 -40.5 90.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.938 -1.101 . . . . 1.0 109.074 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.85 -45.92 40.45 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 110.142 -1.183 . . . . 1.0 110.142 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.63 -39.47 77.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.333 . . . . 1.0 109.732 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.571 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 1.9 p -66.14 -45.51 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.074 -1.016 . . . . 1.0 109.117 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.571 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 12.2 m80 -53.35 -33.67 54.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 1.0 108.792 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 77.0 mm-40 -62.11 -32.32 72.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -43.54 81.2 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.357 -0.979 . . . . 1.0 108.357 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -35.91 76.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.44 -42.09 72.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.004 . . . . 1.0 109.788 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.405 ' CD2' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -66.47 -44.77 81.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.764 -1.21 . . . . 1.0 108.312 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.221 -1.4 . . . . 1.0 107.221 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -69.41 -45.58 68.86 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.078 -1.082 . . . . 1.0 108.078 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.0 t -58.03 -46.59 85.09 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.74 85.06 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.774 -0.578 . . . . 1.0 110.192 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.47 -39.15 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.176 -0.952 . . . . 1.0 109.576 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.5 m -57.59 -36.8 72.21 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.07 . . . . 1.0 109.077 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 50.5 m -60.9 -35.27 76.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.347 -0.982 . . . . 1.0 108.347 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -66.33 129.18 38.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.349 -0.844 . . . . 1.0 109.331 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.15 33.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 1.0 109.816 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 630' ' ' THR . 52.9 t-80 -123.52 144.04 49.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.917 . . . . 1.0 109.726 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' A' ' 629' ' ' HIS . 89.6 m -76.66 130.95 38.51 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.355 -0.841 . . . . 1.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 8.2 t -172.29 -129.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.271 -0.893 . . . . 1.0 109.266 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.37 87.84 1.17 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 1.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -59.27 -22.36 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 1.0 109.568 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -40.03 86.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.0 109.656 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.16 -49.21 76.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.236 -0.915 . . . . 1.0 109.137 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 640' ' ' SER . 82.7 m-70 -63.6 -41.43 98.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 1.0 108.752 178.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.35 -49.66 76.98 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.372 -0.83 . . . . 1.0 108.835 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.63 92.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.445 -0.784 . . . . 1.0 109.156 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.8 -47.37 69.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 1.0 109.804 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 636' ' ' HIS . 20.5 t -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.369 -0.832 . . . . 1.0 110.155 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -59.87 -46.27 89.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.121 -0.987 . . . . 1.0 110.196 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -72.7 -41.2 65.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.027 -1.046 . . . . 1.0 110.434 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.48 -45.62 88.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.0 109.97 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -32.31 72.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.0 110.519 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -32.05 73.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.775 -1.203 . . . . 1.0 108.059 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.472 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 43.7 mmm -68.57 -38.6 80.84 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.485 -0.931 . . . . 1.0 108.485 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -59.77 -49.6 77.08 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.88 -41.77 82.25 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.12 -0.632 . . . . 1.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.68 -40.36 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 1.0 109.876 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 646' ' ' MET . 3.3 m-85 -58.5 -43.17 88.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 1.0 109.831 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -69.93 -36.11 75.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.032 -1.042 . . . . 1.0 109.115 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 30.5 m -57.4 -41.1 79.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.885 . . . . 1.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.73 -36.4 83.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 1.0 109.706 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.23 -43.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.347 -0.846 . . . . 1.0 109.508 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.33 -46.23 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.047 -1.033 . . . . 1.0 108.409 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -58.73 -38.15 77.75 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.759 -1.201 . . . . 1.0 107.759 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.41 -49.11 12.35 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.378 -1.489 . . . . 1.0 109.378 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -55.92 -28.11 55.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.129 -1.218 . . . . 1.0 109.476 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.53 -36.43 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 1.0 109.687 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.0 tt -54.91 -38.09 67.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.98 -35.96 69.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.84 . . . . 1.0 109.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 28.7 t -56.49 -31.12 63.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0 109.39 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.08 -26.96 44.03 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.523 -1.431 . . . . 1.0 109.523 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -63.06 141.64 58.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -1.095 . . . . 1.0 109.528 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 78.97 -64.79 3.64 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -132.46 167.09 23.2 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.583 -1.407 . . . . 1.0 109.583 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.15 142.11 72.47 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.024 2.483 . . . . 1.0 112.313 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -142.99 -32.95 0.1 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.626 -1.39 . . . . 1.0 109.626 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -143.26 165.53 27.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -1.102 . . . . 1.0 109.327 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.551 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 12.0 p -132.15 -178.26 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.159 -0.963 . . . . 1.0 110.006 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 66.9 mt -54.69 -24.77 23.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.366 -0.834 . . . . 1.0 109.693 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . 0.551 ' H ' ' HG1' ' A' ' 670' ' ' THR . 89.1 m-20 -65.87 -46.72 77.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.203 -0.936 . . . . 1.0 109.083 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.06 -38.87 73.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.373 -0.829 . . . . 1.0 109.629 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.49 -35.65 74.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 1.0 109.357 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.99 -34.92 73.97 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.498 ' O ' ' SG ' ' A' ' 680' ' ' CYS . 35.9 ttm180 -71.65 -43.84 65.37 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.71 -47.58 59.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.952 -1.092 . . . . 1.0 108.798 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.02 -31.65 37.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.681 -1.229 . . . . 1.0 107.681 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.48 -47.52 48.0 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.518 -0.919 . . . . 1.0 108.518 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 676' ' ' ARG . 26.7 m -66.08 -41.59 90.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 1.0 108.923 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.578 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.4 t -56.78 -32.88 66.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 1.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -72.11 -25.32 61.69 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.99 -1.069 . . . . 1.0 109.039 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.825 . . . . 1.0 111.394 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -51.32 72.63 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.776 -1.202 . . . . 1.0 112.296 -177.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.578 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_exo -60.01 -44.28 30.86 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.98 1.787 . . . . 1.0 112.706 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.32 -40.54 93.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.031 -1.043 . . . . 1.0 108.454 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.38 -35.66 65.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.571 -0.706 . . . . 1.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.52 98.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.002 -1.061 . . . . 1.0 109.312 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -65.76 -41.89 91.54 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.17 -0.956 . . . . 1.0 109.427 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.26 -45.14 85.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.309 -0.869 . . . . 1.0 110.007 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.8 tp -59.32 -33.42 71.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.0 -1.062 . . . . 1.0 109.094 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.3 74.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.097 -1.075 . . . . 1.0 108.097 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 15.2 m -66.0 -41.09 91.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.543 -0.723 . . . . 1.0 109.503 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.07 -37.22 86.65 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.174 -0.954 . . . . 1.0 108.639 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.1 mp -60.01 -35.92 76.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 118.731 -1.187 . . . . 1.0 109.762 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.465 ' C ' ' CD2' ' A' ' 696' ' ' HIS . 4.4 t60 -66.84 -37.66 84.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.974 -1.079 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.7 -16.2 71.85 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 106.404 -2.678 . . . . 1.0 106.404 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.684 ' N ' HD21 ' A' ' 698' ' ' ASN . 0.8 OUTLIER -111.58 -1.66 15.71 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.747 0.784 . . . . 1.0 110.262 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.33 -22.12 17.83 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.735 0.779 . . . . 1.0 112.302 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.8 t -83.63 -42.27 16.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 106.609 -1.626 . . . . 1.0 106.609 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 701' ' ' LEU . 7.3 mp -98.44 -18.6 18.16 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.4 -1.438 . . . . 1.0 109.434 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 698' ' ' ASN . 47.8 tp -66.24 -32.14 73.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 1.0 111.504 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -118.69 -66.77 1.04 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.904 -1.123 . . . . 1.0 110.442 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -70.03 80.82 0.49 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.235 -1.024 . . . . 1.0 108.235 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -45.18 -38.22 5.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 1.0 110.066 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 1.7 t -174.9 -27.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -0.862 . . . . 1.0 109.485 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -76.41 132.68 39.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 1.0 109.67 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 118.033 -0.985 . . . . 1.0 109.465 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 547' ' ' SER . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.411 2.524 . . . . 1.0 119.411 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 546' ' ' GLY . 0.4 OUTLIER 54.27 170.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -1.16 . . . . 1.0 109.464 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -80.75 149.77 30.34 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -94.89 -138.97 0.23 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -1.137 . . . . 1.0 109.56 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 157.68 50.06 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.249 -0.907 . . . . 1.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.65 -92.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.182 1.921 . . . . 1.0 111.918 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.17 134.48 47.33 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.336 -0.852 . . . . 1.0 109.222 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -111.85 168.33 9.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.248 -0.908 . . . . 1.0 109.116 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.409 ' H ' HD11 ' A' ' 554' ' ' LEU . 3.5 mp -56.07 -42.58 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.345 -0.847 . . . . 1.0 110.055 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 1.0 110.068 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 65.7 t -69.8 -44.41 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.819 -1.175 . . . . 1.0 108.18 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -60.49 -41.24 93.87 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.44 -0.787 . . . . 1.0 109.47 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -39.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 1.0 109.161 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' A' ' 563' ' ' ARG . 3.7 tt0 -72.13 -50.47 27.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.0 110.146 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.521 ' OG1' ' CE2' ' A' ' 619' ' ' PHE . 1.6 t -60.86 -42.53 98.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 1.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 560' ' ' THR . 5.0 tp -71.22 -39.68 71.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.856 -1.152 . . . . 1.0 109.113 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.83 93.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.369 -0.832 . . . . 1.0 109.234 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.513 ' NH2' ' OE2' ' A' ' 559' ' ' GLU . 95.8 mtt180 -61.32 -35.44 77.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.26 -0.9 . . . . 1.0 109.119 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 616' ' ' LEU . 5.6 mp -71.67 -41.55 68.58 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.442 -0.786 . . . . 1.0 109.474 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.41 -31.52 70.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 1.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.443 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.5 mt-30 -78.83 -47.17 17.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.045 -1.034 . . . . 1.0 108.433 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.55 -33.4 86.39 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.666 -1.374 . . . . 1.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.02 -47.88 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.263 . . . . 1.0 108.973 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 82.1 p -66.02 -37.66 86.45 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.14 -0.975 . . . . 1.0 108.489 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 88.2 m -62.46 -42.32 99.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.687 -0.633 . . . . 1.0 110.14 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.4 p -67.91 -34.09 75.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.0 110.753 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.428 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 53.3 t -72.98 -35.54 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.618 -1.301 . . . . 1.0 109.17 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.6 83.64 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.015 -1.106 . . . . 1.0 108.015 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 574' ' ' HIS . 12.5 t60 -57.17 -50.61 72.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 1.0 109.288 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.52 -48.25 79.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.913 . . . . 1.0 109.339 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.5 -39.08 88.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 1.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.6 -40.7 97.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 1.0 109.511 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.4 tp -64.83 -36.25 83.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.321 -0.862 . . . . 1.0 109.545 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 582' ' ' ALA . 72.0 t -60.91 -32.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 1.0 109.554 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 582' ' ' ALA . . . -44.57 125.74 6.3 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 583' ' ' SER . 0.4 OUTLIER 72.6 -22.32 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -1.192 . . . . 1.0 109.591 -179.82 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' A' ' 580' ' ' GLY . . . 48.72 13.21 0.05 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.193 -0.942 . . . . 1.0 109.425 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 581' ' ' SER . 34.8 t -133.69 146.73 51.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 1.0 109.533 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -139.47 -173.52 13.17 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.599 -1.4 . . . . 1.0 109.599 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.74 140.9 28.95 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.922 2.415 . . . . 1.0 112.287 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -170.37 -127.97 0.98 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 91.81 -53.82 2.98 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -101.91 141.26 35.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -1.142 . . . . 1.0 109.51 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 46.58 32.0 1.53 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 1.0 109.415 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 12.7 t -136.83 20.59 3.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 1.0 109.585 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 71.8 p -72.6 -10.74 60.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 1.0 109.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.3 t -100.07 137.4 38.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.885 . . . . 1.0 109.61 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.89 76.42 70.63 Favored Pre-proline 0 N--CA 1.494 1.775 0 O-C-N 121.164 -0.96 . . . . 1.0 109.787 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.82 -60.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.185 1.923 . . . . 1.0 112.455 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 669' ' ' PHE . 2.8 pt20 -170.04 101.38 0.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.14 -0.975 . . . . 1.0 109.683 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 48.16 79.81 0.33 Allowed Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 1.0 109.924 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.433 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 15.0 Cg_exo -55.35 -43.23 60.49 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.107 1.871 . . . . 1.0 113.558 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 96.3 Cg_endo -84.26 78.21 2.95 Favored 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 121.812 1.674 . . . . 1.0 112.019 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.61 -36.03 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.357 -0.84 . . . . 1.0 110.051 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.78 -41.45 86.69 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 1.0 109.452 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -63.15 -47.27 83.4 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.271 -0.893 . . . . 1.0 109.415 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -43.68 59.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.363 -0.836 . . . . 1.0 109.25 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -59.25 -34.2 71.94 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 1.0 109.533 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.95 70.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 1.0 110.098 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.88 -47.52 65.67 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.141 -0.974 . . . . 1.0 110.308 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 2.5 m -70.12 -35.87 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.819 -1.176 . . . . 1.0 109.32 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -66.61 -39.91 88.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 1.0 109.048 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.57 29.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 1.0 110.412 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 610' ' ' HIS . 2.4 p -62.43 -41.6 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.989 -1.07 . . . . 1.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.524 ' O ' HG11 ' A' ' 613' ' ' VAL . 61.2 t60 -67.39 -31.94 72.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 1.0 109.971 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.7 -45.32 45.17 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.937 -1.265 . . . . 1.0 109.937 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.38 -39.12 74.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.337 . . . . 1.0 109.52 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 614' ' ' HIS . 1.3 p -63.47 -44.09 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 1.0 108.998 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.57 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 0.7 OUTLIER -52.79 -29.62 28.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.211 -0.93 . . . . 1.0 108.569 177.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 59.3 mm-40 -64.12 -28.12 69.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 1.0 109.091 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 564' ' ' LEU . 6.1 tp -66.4 -38.78 88.27 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.594 -1.261 . . . . 1.0 107.594 177.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.66 -46.9 87.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.948 -1.13 . . . . 1.0 107.948 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.44 -45.71 58.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 1.0 109.441 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . 0.521 ' CE2' ' OG1' ' A' ' 560' ' ' THR . 3.2 m-85 -63.99 -46.74 83.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.203 -0.936 . . . . 1.0 108.632 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.71 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.3 -39.9 94.5 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.574 -0.704 . . . . 1.0 109.747 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.8 p -57.5 -41.17 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 1.0 108.894 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.85 96.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 1.0 109.675 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.71 -41.55 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.933 . . . . 1.0 109.683 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.4 p -60.94 -29.8 69.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 1.0 109.594 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 75.2 m -84.18 1.96 41.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 1.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 629' ' ' HIS . . . -71.71 -7.52 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.917 . . . . 1.0 109.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' THR . . . . . 0.502 ' HG1' ' H ' ' A' ' 629' ' ' HIS . 1.0 OUTLIER 49.3 -88.68 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 1.0 109.58 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.566 ' N ' ' O ' ' A' ' 627' ' ' ALA . 78.1 m80 -86.26 139.27 31.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 1.0 109.49 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 632' ' ' ASP . 30.8 p -105.25 166.2 10.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.0 109.462 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.65 0.61 0.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.198 -0.939 . . . . 1.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 630' ' ' THR . 22.3 t70 -55.74 -36.88 67.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 1.0 109.436 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.78 154.54 51.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.243 -0.91 . . . . 1.0 109.454 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 38.9 m -60.08 -37.53 80.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.729 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.43 -40.51 78.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.907 . . . . 1.0 109.423 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -63.52 -44.95 92.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.076 -1.015 . . . . 1.0 108.57 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.06 78.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.416 -0.803 . . . . 1.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -38.25 79.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.377 -0.827 . . . . 1.0 109.601 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.12 -47.16 86.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 1.0 109.398 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.3 p -60.63 -41.88 95.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.0 109.382 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -64.22 -45.3 88.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 1.0 110.08 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.478 ' NE2' ' HZ3' ' A' ' 645' ' ' LYS . 99.5 mm-40 -73.59 -28.8 62.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.128 -0.982 . . . . 1.0 109.993 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.21 -50.68 59.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.862 . . . . 1.0 110.079 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -62.46 -39.0 91.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.0 109.6 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.478 ' HZ3' ' NE2' ' A' ' 642' ' ' GLN . 7.2 ttpm? -64.9 -31.99 73.48 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.778 -1.193 . . . . 1.0 107.778 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 6.1 tpt -68.43 -36.69 79.42 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -67.42 -50.79 57.9 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.604 0.716 . . . . 1.0 109.126 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -58.44 -41.17 84.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.0 -36.54 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.796 . . . . 1.0 110.18 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.417 ' HD1' ' N ' ' A' ' 650' ' ' TYR . 3.4 m-30 -62.46 -35.97 80.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.07 -1.019 . . . . 1.0 109.996 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.68 -35.17 78.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.94 -1.1 . . . . 1.0 109.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 57.7 m -59.69 -38.84 82.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -0.949 . . . . 1.0 109.395 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.54 -37.59 82.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.89 . . . . 1.0 109.684 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 658' ' ' GLN . 87.2 t -61.26 -43.54 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.122 -0.986 . . . . 1.0 109.425 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.35 -46.94 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.107 -0.996 . . . . 1.0 108.442 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -58.11 -40.17 80.53 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.84 -41.01 43.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 654' ' ' VAL . 4.9 mm-40 -54.94 -21.02 10.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.236 . . . . 1.0 109.603 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.62 -35.9 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.151 -0.968 . . . . 1.0 109.743 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.26 -33.32 63.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 1.0 109.308 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 662' ' ' SER . 60.6 t0 -84.88 -122.81 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 1.0 109.565 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 661' ' ' ASP . 6.8 t 58.03 158.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -0.913 . . . . 1.0 109.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -88.4 -174.06 47.32 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -71.04 141.6 50.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.162 -1.199 . . . . 1.0 109.504 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -164.27 -179.95 38.75 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -46.99 -72.12 0.45 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.18 150.18 80.96 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.009 2.473 . . . . 1.0 112.329 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -145.46 -173.28 16.58 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.777 -1.329 . . . . 1.0 109.777 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.531 ' N ' ' OE1' ' A' ' 595' ' ' GLN . 0.5 OUTLIER -95.75 134.38 38.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.184 -1.186 . . . . 1.0 109.531 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.581 ' HG1' ' H ' ' A' ' 672' ' ' ASP . 8.4 p -135.17 167.46 20.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 1.0 109.675 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.39 -23.98 17.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 1.0 109.651 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . 0.581 ' H ' ' HG1' ' A' ' 670' ' ' THR . 55.4 t0 -70.26 -45.1 67.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.179 -0.95 . . . . 1.0 109.186 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.53 -37.39 75.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.287 -0.883 . . . . 1.0 109.455 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.02 -35.68 81.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 1.0 109.449 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -57.93 -34.82 70.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.44 -1.319 . . . . 1.0 107.44 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -73.51 -39.72 64.6 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.76 -0.587 . . . . 1.0 109.6 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.07 -49.56 43.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.946 -1.096 . . . . 1.0 108.936 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.24 -31.06 31.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 107.837 -1.171 . . . . 1.0 107.837 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.43 76.79 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 681' ' ' SER . 0.1 OUTLIER -66.51 -39.92 88.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 1.0 109.373 179.591 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.636 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 4.4 t -56.03 -33.44 64.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.268 -0.895 . . . . 1.0 110.437 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -75.86 -29.42 58.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.758 -1.214 . . . . 1.0 109.878 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.02 -46.42 62.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 1.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.402 ' N ' ' CD ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -59.04 -49.75 91.56 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 121.031 -1.043 . . . . 1.0 112.197 -176.006 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.636 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.4 Cg_exo -65.14 -41.89 15.34 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.907 1.738 . . . . 1.0 112.887 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -67.24 -42.46 83.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.959 -1.088 . . . . 1.0 108.589 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.58 -35.27 63.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 1.0 109.252 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.63 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 1.0 108.815 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -67.41 -40.73 85.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.462 -0.774 . . . . 1.0 109.522 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.85 -44.85 88.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 1.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.41 -32.44 70.18 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.232 -0.917 . . . . 1.0 108.715 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -63.66 -32.62 74.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.0 108.776 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.3 m -66.12 -37.99 87.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.339 -0.851 . . . . 1.0 109.211 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.497 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -63.62 -40.65 97.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 109.002 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -62.1 -37.73 86.2 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.211 -0.931 . . . . 1.0 108.921 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 38.1 m80 -68.61 -44.77 73.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.432 -0.793 . . . . 1.0 110.365 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.64 -28.03 44.43 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 1.2 p30 -126.46 11.8 7.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.067 -1.255 . . . . 1.0 109.992 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.75 -32.46 63.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.072 -1.018 . . . . 1.0 109.243 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.0 p -52.56 -35.39 53.69 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.277 -0.89 . . . . 1.0 109.241 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 4.4 mp -88.39 -40.22 13.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.231 -0.918 . . . . 1.0 110.055 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 54.1 mt -56.5 -33.53 66.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.968 -1.082 . . . . 1.0 108.367 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.9 m-85 -125.15 -71.83 0.69 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.399 -0.813 . . . . 1.0 109.48 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 30.2 ttm-85 77.49 108.7 0.08 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.941 . . . . 1.0 109.348 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -72.57 145.29 47.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 1.0 109.611 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 48.7 p -69.13 142.83 54.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 1.0 109.542 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . 0.418 ' O ' ' OXT' ' A' ' 708' ' ' ALA . 67.3 mttm -61.57 -36.09 79.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.24 -0.913 . . . . 1.0 109.439 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . 0.418 ' OXT' ' O ' ' A' ' 707' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.056 -0.973 . . . . 1.0 109.462 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.908 0 N-CA-C 119.411 2.525 . . . . 1.0 119.411 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.69 -57.47 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.211 -1.17 . . . . 1.0 109.493 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -77.25 157.36 46.4 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.591 -1.403 . . . . 1.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -98.66 142.31 30.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -1.128 . . . . 1.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 79.0 0.36 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 1.0 110.064 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.19 -152.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.549 2.166 . . . . 1.0 112.03 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 51.6 mt -95.2 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.055 -1.028 . . . . 1.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -100.06 151.94 20.79 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 554' ' ' LEU . 2.9 tm? -54.85 -42.95 72.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.746 . . . . 1.0 109.961 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.41 -35.24 73.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 1.0 110.288 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.542 ' O ' ' OG1' ' A' ' 560' ' ' THR . 80.4 t -76.02 -39.0 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.667 -1.271 . . . . 1.0 107.815 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.87 79.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.956 -0.757 . . . . 1.0 108.956 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 24.9 m -71.09 -36.62 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 1.0 108.828 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.59 -51.86 17.92 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 1.0 109.984 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.11 -44.74 83.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.922 -1.111 . . . . 1.0 110.067 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' A' ' 565' ' ' GLN . 1.0 OUTLIER -59.74 -40.47 88.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.021 -1.049 . . . . 1.0 109.406 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.81 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.29 -0.881 . . . . 1.0 109.855 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -35.95 81.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 1.0 109.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.23 -41.14 77.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.0 110.052 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . 0.515 HE22 ' CD1' ' A' ' 616' ' ' LEU . 3.7 mp0 -61.39 -33.21 73.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 1.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.448 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.8 mt-30 -78.17 -46.15 21.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.173 -0.954 . . . . 1.0 108.648 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . 0.406 ' O ' ' CG2' ' A' ' 571' ' ' THR . . . -65.0 -32.99 86.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.67 -1.372 . . . . 1.0 109.67 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.33 -49.29 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.043 -1.269 . . . . 1.0 108.862 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 30.0 m -67.15 -38.41 85.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.185 -0.947 . . . . 1.0 108.866 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 84.2 m -63.36 -43.77 96.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.461 -0.774 . . . . 1.0 109.739 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 567' ' ' GLY . 75.4 p -67.47 -32.68 73.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 1.0 109.886 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.07 -37.7 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.252 -0.905 . . . . 1.0 109.566 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.68 82.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.092 -1.005 . . . . 1.0 108.671 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.51 -45.18 94.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.712 -0.618 . . . . 1.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.84 -44.54 74.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.337 -0.852 . . . . 1.0 109.561 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -41.42 65.73 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.378 -0.826 . . . . 1.0 109.196 178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -59.33 -41.52 89.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 1.0 109.215 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 1.0 109.412 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.12 -38.13 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.932 . . . . 1.0 109.53 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.61 -36.07 38.89 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.616 -1.394 . . . . 1.0 109.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 21.1 t -60.97 -30.93 70.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -1.173 . . . . 1.0 109.549 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -55.7 144.48 26.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.189 -0.945 . . . . 1.0 109.501 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 48.9 m -132.41 155.37 48.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 1.0 109.488 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -57.66 164.67 7.01 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.27 -34.45 44.86 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.812 2.341 . . . . 1.0 112.188 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 152.28 -133.99 4.35 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.487 -1.445 . . . . 1.0 109.487 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -165.78 -95.86 0.1 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -90.75 154.87 19.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -1.13 . . . . 1.0 109.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 51.67 43.14 30.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.0 109.445 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 32.3 t -142.68 142.52 32.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.252 -0.905 . . . . 1.0 109.436 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 26.6 p -126.48 167.81 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 1.0 109.459 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.7 t -58.0 135.11 56.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.236 -0.915 . . . . 1.0 109.484 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 154.86 44.78 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.223 -0.923 . . . . 1.0 109.242 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -42.48 155.15 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.491 2.127 . . . . 1.0 112.019 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.35 132.67 53.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 1.0 109.645 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -54.72 -53.84 56.02 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 1.0 110.717 -179.486 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 596' ' ' GLU . 59.1 Cg_endo -75.41 123.89 7.98 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.424 2.082 . . . . 1.0 112.066 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.43 136.43 6.05 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.04 1.827 . . . . 1.0 112.126 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.78 -36.6 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 1.0 109.643 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -56.51 -43.38 79.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.92 . . . . 1.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.81 -42.51 99.75 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.376 -0.827 . . . . 1.0 109.148 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 31.6 tp -70.25 -42.27 72.4 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.401 -0.812 . . . . 1.0 109.045 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.84 -35.39 78.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.338 -0.851 . . . . 1.0 109.831 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.95 75.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 110.019 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.61 87.25 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.902 . . . . 1.0 110.168 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.97 -38.25 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.106 -0.996 . . . . 1.0 109.632 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.49 -35.39 72.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.253 -0.904 . . . . 1.0 109.555 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.08 84.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.937 . . . . 1.0 109.691 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 86.6 t -63.02 -44.23 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.071 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.697 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 19.9 m80 -63.43 -37.04 85.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.353 -0.842 . . . . 1.0 109.963 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.98 98.63 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.2 84.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.843 -1.387 . . . . 1.0 109.42 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.586 ' CG1' ' CE1' ' A' ' 650' ' ' TYR . 68.8 t -65.59 -46.2 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 1.0 109.382 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -53.72 -36.24 62.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.344 -0.848 . . . . 1.0 109.205 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.39 -35.5 77.67 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . 0.515 ' CD1' HE22 ' A' ' 565' ' ' GLN . 55.0 tp -67.52 -41.04 85.02 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.48 -1.304 . . . . 1.0 107.48 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.47 98.4 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.923 -1.14 . . . . 1.0 107.923 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.73 -45.7 57.38 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.344 -0.848 . . . . 1.0 109.714 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.49 -48.0 79.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.161 -0.962 . . . . 1.0 108.864 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.41 91.87 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.236 -0.915 . . . . 1.0 108.628 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -42.45 89.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.533 -0.73 . . . . 1.0 109.706 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.7 p -58.18 -37.37 74.61 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.191 -0.943 . . . . 1.0 108.507 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.91 77.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 1.0 109.531 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 625' ' ' SER . 54.8 t -54.86 -48.26 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.274 -0.891 . . . . 1.0 109.68 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 624' ' ' VAL . 3.0 m 31.46 69.38 0.1 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.133 -0.979 . . . . 1.0 109.265 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 628' ' ' THR . 0.8 OUTLIER 72.69 -66.14 0.32 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.324 -0.86 . . . . 1.0 109.416 -178.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . 67.14 -8.97 0.41 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.249 -0.907 . . . . 1.0 109.539 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' THR . . . . . 0.543 ' H ' ' C ' ' A' ' 626' ' ' SER . 6.6 t -139.59 148.69 42.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 1.0 109.518 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . 0.652 ' CG ' ' H ' ' A' ' 630' ' ' THR . 73.2 t60 -171.83 -127.82 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 1.0 109.411 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' THR . . . . . 0.652 ' H ' ' CG ' ' A' ' 629' ' ' HIS . 74.0 m -61.75 -38.15 86.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.26 -0.9 . . . . 1.0 109.536 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 83.9 p -144.47 161.4 39.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 1.0 109.603 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 632' ' ' ASP . 45.4 p30 -144.54 171.91 13.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 1.0 109.499 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -122.51 163.37 20.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 1.0 109.483 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 49.2 m -60.2 -31.01 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 1.0 109.519 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.81 -45.3 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.0 109.496 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . 0.49 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 19.8 t60 -62.94 -42.4 99.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.01 77.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.719 -0.845 . . . . 1.0 108.719 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -44.9 90.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.377 -0.827 . . . . 1.0 109.311 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.18 -46.61 89.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.0 109.623 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.49 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 18.6 m -57.48 -39.63 76.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 1.0 109.477 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -59.95 -45.6 92.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.838 . . . . 1.0 110.346 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 26.5 mt-30 -74.87 -31.31 61.57 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.877 -1.139 . . . . 1.0 110.416 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.31 -51.16 47.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.006 -1.059 . . . . 1.0 110.054 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -63.67 -36.0 82.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.011 -1.055 . . . . 1.0 109.008 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -64.06 -36.32 83.63 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.896 -1.15 . . . . 1.0 107.896 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 33.8 tpp -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.174 -1.046 . . . . 1.0 108.174 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.16 -52.03 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.57 0.7 . . . . 1.0 109.154 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.65 -42.87 90.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.506 -0.746 . . . . 1.0 109.155 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 652' ' ' THR . 13.0 t -64.05 -45.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.378 -0.826 . . . . 1.0 109.965 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.697 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 22.3 t80 -70.31 -37.3 74.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.078 -1.014 . . . . 1.0 110.132 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -68.91 -32.62 72.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.832 -1.168 . . . . 1.0 109.403 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 649' ' ' VAL . 24.6 p -65.28 -34.82 79.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.06 -1.025 . . . . 1.0 108.793 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 657' ' ' GLY . 6.0 mt -69.11 -36.69 77.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.511 -0.743 . . . . 1.0 109.362 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.63 -44.3 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.976 . . . . 1.0 109.27 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.54 -46.14 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -34.77 78.34 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 107.858 -1.164 . . . . 1.0 107.858 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.66 -49.4 18.61 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -56.86 -27.6 60.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.139 -1.212 . . . . 1.0 109.519 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.93 -39.84 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.948 . . . . 1.0 109.688 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.533 ' O ' ' CE2' ' A' ' 669' ' ' PHE . 1.1 pp -50.61 -23.5 2.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 1.0 109.393 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -84.27 115.98 22.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.437 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 t 46.33 84.49 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.883 . . . . 1.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 668' ' ' GLY . . . -87.51 4.08 86.12 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.68 -1.368 . . . . 1.0 109.68 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -57.59 -26.7 61.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -1.092 . . . . 1.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -47.5 -33.51 8.59 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.509 -1.436 . . . . 1.0 109.509 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . 168.63 -52.37 0.22 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 32.2 Cg_exo -56.83 -29.55 81.71 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.949 2.432 . . . . 1.0 112.333 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 663' ' ' GLY . . . 67.81 -64.24 0.32 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 669' ' ' PHE . 0.0 OUTLIER 59.15 119.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -1.142 . . . . 1.0 109.456 -179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.439 ' OG1' ' OD1' ' A' ' 672' ' ' ASP . 76.9 p -141.04 -158.88 0.9 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 1.0 109.464 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.28 -29.86 61.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.258 -0.901 . . . . 1.0 109.273 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 20.2 p-10 -66.6 -47.05 73.93 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.377 -0.827 . . . . 1.0 109.056 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . 0.553 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 1.6 m-20 -58.3 -31.62 67.68 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.463 -0.773 . . . . 1.0 109.46 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.47 -38.0 89.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.319 -0.863 . . . . 1.0 109.238 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -62.91 -35.35 79.78 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.157 -1.423 . . . . 1.0 107.157 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -72.59 -39.88 67.01 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.12 -45.8 66.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.0 108.323 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.36 -31.63 38.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.79 -1.189 . . . . 1.0 107.79 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.21 63.61 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.885 -0.784 . . . . 1.0 108.885 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.9 m -64.69 -37.24 86.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.856 . . . . 1.0 109.516 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.628 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 18.2 t -57.3 -35.78 70.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.359 -0.838 . . . . 1.0 111.464 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -76.81 -26.9 54.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.354 -1.466 . . . . 1.0 110.464 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.42 54.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.075 -1.016 . . . . 1.0 111.651 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.3 OUTLIER -62.15 -44.11 88.01 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 120.415 -1.428 . . . . 1.0 112.508 -177.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.628 ' CD ' ' O ' ' A' ' 681' ' ' SER . 27.9 Cg_endo -62.46 -42.29 28.18 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.236 1.291 . . . . 1.0 112.1 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -38.23 84.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.319 -0.863 . . . . 1.0 109.146 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.93 -31.97 63.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.5 92.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.201 -0.937 . . . . 1.0 108.809 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.25 95.81 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.445 -0.785 . . . . 1.0 109.963 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -72.56 -42.79 64.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.0 109.922 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.33 -35.61 74.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 1.0 108.434 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.07 79.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.381 -0.824 . . . . 1.0 108.874 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.1 m -65.93 -39.03 90.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.172 -0.955 . . . . 1.0 109.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.9 -38.01 87.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.0 108.812 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.9 mp -60.65 -37.08 80.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.189 -1.041 . . . . 1.0 108.189 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -48.71 70.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.559 -0.713 . . . . 1.0 110.145 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.13 57.92 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.49 7.6 13.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.944 -1.327 . . . . 1.0 109.602 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.5 -30.22 29.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.144 -0.972 . . . . 1.0 109.364 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 83.3 p -58.35 -39.41 79.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.0 109.582 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 96.8 mt -88.62 -43.58 11.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.938 . . . . 1.0 110.313 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.08 -33.91 58.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.002 -1.061 . . . . 1.0 108.434 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.38 -101.71 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 1.0 109.414 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -171.43 106.27 0.23 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.451 -0.781 . . . . 1.0 110.124 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -57.36 -40.36 77.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 1.0 109.523 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 6.7 t -142.9 155.86 44.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 1.0 109.645 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -97.7 148.76 23.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 1.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.993 -1.003 . . . . 1.0 109.379 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.87 0 N-CA-C 119.412 2.525 . . . . 1.0 119.412 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 22.0 m -57.64 -36.13 71.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.237 -1.155 . . . . 1.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -70.56 142.21 34.91 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 549' ' ' ARG . 2.0 mpt_? -64.12 146.68 53.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 1.0 109.459 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.58 153.19 81.18 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.342 -0.849 . . . . 1.0 109.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.98 147.03 1.43 Allowed 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.322 2.014 . . . . 1.0 111.789 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 0.9 OUTLIER -87.02 -22.54 25.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.179 -0.951 . . . . 1.0 109.5 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 13.3 tp10 87.19 103.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.75 -34.9 70.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.525 -0.734 . . . . 1.0 110.423 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.57 -40.4 92.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 1.0 110.448 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.51 ' O ' ' OG1' ' A' ' 560' ' ' THR . 90.2 t -73.37 -41.77 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.475 -1.391 . . . . 1.0 107.777 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.73 91.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.371 -0.831 . . . . 1.0 109.497 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -33.78 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.29 -0.881 . . . . 1.0 110.442 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.73 -50.99 15.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.82 -1.175 . . . . 1.0 110.063 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.16 -41.76 99.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.428 -0.795 . . . . 1.0 109.669 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.56 -40.35 94.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.216 -0.928 . . . . 1.0 109.476 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.11 -34.29 68.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.505 -0.747 . . . . 1.0 109.917 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.58 -39.31 93.5 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.121 -0.987 . . . . 1.0 108.61 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 568' ' ' VAL . 10.0 mp -61.75 -44.02 97.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.68 -0.638 . . . . 1.0 110.067 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -61.2 -35.37 76.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.315 -0.865 . . . . 1.0 109.746 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.65 -49.39 13.28 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.202 -0.937 . . . . 1.0 108.653 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.36 85.13 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 564' ' ' LEU . 85.2 t -72.78 -49.56 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.987 -1.302 . . . . 1.0 108.733 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.1 p -66.76 -38.48 86.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -0.969 . . . . 1.0 109.059 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 89.0 m -62.01 -41.22 97.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.423 -0.798 . . . . 1.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 61.6 p -66.81 -33.12 74.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.134 -0.979 . . . . 1.0 109.688 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.69 -38.04 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.87 90.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 1.0 109.245 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -58.51 -50.75 72.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.232 -0.918 . . . . 1.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.87 -48.07 76.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.256 -0.903 . . . . 1.0 109.754 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.96 -38.97 72.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 1.0 109.397 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.48 -39.1 89.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 1.0 109.093 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.4 -37.99 74.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.806 . . . . 1.0 109.555 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.94 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.0 109.506 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -63.72 -44.97 95.55 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 24.7 m -60.89 -34.07 74.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -1.188 . . . . 1.0 109.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -56.43 143.35 35.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 1.0 109.5 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 24.5 t -143.24 149.86 38.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 1.0 109.489 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -55.88 163.14 5.33 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.588 -1.405 . . . . 1.0 109.588 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -59.77 149.31 83.94 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.749 2.299 . . . . 1.0 112.195 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -131.74 -49.9 0.1 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.572 -1.411 . . . . 1.0 109.572 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -56.74 -41.36 90.36 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.541 -1.424 . . . . 1.0 109.541 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -120.11 146.65 45.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -1.153 . . . . 1.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 20.0 mtp-105 -126.48 151.0 48.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 1.0 109.435 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 17.0 m 48.65 52.24 14.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 1.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 592' ' ' SER . 0.2 OUTLIER -138.05 28.77 2.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.32 -0.862 . . . . 1.0 109.504 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 591' ' ' THR . 1.4 t 50.26 -177.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 1.0 109.453 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.411 ' H ' ' HG ' ' A' ' 592' ' ' SER . 6.4 mt-10 -135.14 156.99 77.78 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.939 . . . . 1.0 109.217 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.69 159.7 51.85 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.756 2.304 . . . . 1.0 112.237 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.68 51.23 1.53 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 1.0 109.524 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' A' ' 597' ' ' PRO . 8.1 mm-40 -148.19 -64.9 0.02 OUTLIER Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.137 -0.977 . . . . 1.0 110.817 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 596' ' ' GLU . 4.7 Cg_exo -44.14 -49.4 8.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.01 1.807 . . . . 1.0 114.286 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.87 -18.85 14.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.868 1.712 . . . . 1.0 112.446 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.52 -44.71 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 1.0 109.607 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.77 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.099 -1.001 . . . . 1.0 108.869 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.48 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.368 -0.833 . . . . 1.0 109.178 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.38 -42.77 58.74 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.338 -0.851 . . . . 1.0 108.923 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.534 -0.729 . . . . 1.0 109.342 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.25 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 1.0 110.142 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.43 56.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.158 -0.964 . . . . 1.0 110.146 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.34 -36.7 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.987 -1.071 . . . . 1.0 109.446 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.58 80.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.0 109.669 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.4 -50.76 66.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 1.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.99 -43.13 97.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.538 -0.726 . . . . 1.0 109.321 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.565 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 13.2 m-70 -63.5 -40.81 98.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 1.0 109.762 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.99 -41.43 99.42 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 110.053 -1.219 . . . . 1.0 110.053 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.93 73.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.858 -1.378 . . . . 1.0 109.669 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 650' ' ' TYR . 77.0 t -63.95 -46.7 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.0 109.081 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -36.22 50.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.85 . . . . 1.0 108.948 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.55 74.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.234 -0.916 . . . . 1.0 108.986 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -44.12 66.48 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.84 -1.17 . . . . 1.0 107.84 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -42.73 95.71 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.921 -1.14 . . . . 1.0 107.921 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.98 -45.14 62.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.0 110.186 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.75 -47.55 83.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.966 -1.084 . . . . 1.0 108.911 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.09 92.93 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.15 -45.92 92.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.546 -0.721 . . . . 1.0 109.92 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.1 t -59.12 -38.94 80.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.177 -0.952 . . . . 1.0 108.938 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.98 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.0 109.872 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.13 -42.62 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 1.0 109.462 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 24.6 t -60.08 -34.34 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.329 -0.857 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 74.6 m -85.54 6.74 25.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.117 -0.989 . . . . 1.0 109.652 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -80.24 118.86 22.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 109.576 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 34.1 m -141.82 127.68 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.18 -0.95 . . . . 1.0 109.242 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -166.37 136.56 3.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 1.0 109.434 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 65.1 p -74.4 -17.43 60.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 1.0 109.484 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 24.4 t -108.22 143.07 37.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.906 . . . . 1.0 109.504 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.53 122.17 31.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.902 . . . . 1.0 109.534 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -100.92 153.38 19.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 1.0 109.386 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 27.3 m -60.81 -38.67 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 1.0 109.611 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 697' ' ' GLY . 67.6 mt -59.13 -46.55 88.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.0 109.43 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.0 -46.03 90.82 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.226 -1.027 . . . . 1.0 108.226 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.621 -0.881 . . . . 1.0 108.621 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.65 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.573 -0.705 . . . . 1.0 109.83 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.93 -47.27 85.65 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.273 -0.892 . . . . 1.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 82.8 p -59.16 -47.35 85.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0 109.506 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -64.07 -43.3 95.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.592 -0.693 . . . . 1.0 109.702 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.442 ' NE2' ' C ' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -70.19 -30.06 67.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 1.0 110.113 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.62 -50.53 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 1.0 110.186 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.81 -37.78 88.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.139 -0.976 . . . . 1.0 108.963 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -63.69 -34.05 77.01 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.026 -1.102 . . . . 1.0 108.026 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 646' ' ' MET . 0.0 OUTLIER -68.1 -37.88 81.69 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.652 -0.87 . . . . 1.0 108.652 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.44 -51.59 65.05 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.696 0.76 . . . . 1.0 109.072 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.17 -43.39 87.02 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.74 -0.6 . . . . 1.0 109.502 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.11 -45.01 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 1.0 110.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.565 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 29.9 t80 -69.82 -34.46 73.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.03 -1.044 . . . . 1.0 109.777 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -72.89 -40.1 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.015 -1.053 . . . . 1.0 109.817 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 656' ' ' HIS . 85.1 m -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.012 . . . . 1.0 109.885 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 49.5 mt -71.77 -34.38 69.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.038 . . . . 1.0 110.087 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.72 -43.59 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 1.0 109.251 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 79.3 t -67.36 -44.28 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.913 -1.117 . . . . 1.0 108.609 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 652' ' ' THR . 63.5 m-70 -59.75 -40.16 87.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 107.145 -1.428 . . . . 1.0 107.145 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.55 16.0 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.646 -1.382 . . . . 1.0 109.646 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -59.35 -28.25 66.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.136 -1.214 . . . . 1.0 110.415 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.85 -37.8 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 1.0 109.885 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.49 ' O ' ' CZ ' ' A' ' 669' ' ' PHE . 1.1 pp -51.68 -30.16 20.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.0 109.648 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 662' ' ' SER . 54.9 t0 -82.99 120.03 25.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.282 -0.886 . . . . 1.0 109.674 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 661' ' ' ASP . 3.8 m 47.63 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.209 -0.932 . . . . 1.0 109.473 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 664' ' ' ARG . . . -54.64 -36.99 60.02 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 663' ' ' GLY . 55.8 ttt85 45.35 76.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -1.131 . . . . 1.0 109.413 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.82 10.82 64.44 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.431 -1.468 . . . . 1.0 109.431 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -130.33 78.35 0.38 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.65 -1.38 . . . . 1.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -50.98 151.87 11.01 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.943 2.429 . . . . 1.0 112.356 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 99.71 -110.23 3.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.776 -1.33 . . . . 1.0 109.776 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 669' ' ' PHE . 1.2 t80 50.12 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -1.19 . . . . 1.0 109.42 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p -153.0 -128.11 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.958 . . . . 1.0 109.479 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 671' ' ' LEU . 4.0 mm? -62.68 -28.29 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 1.0 109.445 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -67.84 -45.53 74.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.286 -0.884 . . . . 1.0 109.411 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . 0.504 ' OD2' ' NH2' ' A' ' 676' ' ' ARG . 5.4 t0 -56.93 -36.77 70.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.241 -0.912 . . . . 1.0 109.543 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.73 -41.27 99.09 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 1.0 109.692 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -57.7 -36.7 72.34 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.788 -1.189 . . . . 1.0 107.788 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . 0.504 ' NH2' ' OD2' ' A' ' 673' ' ' ASP . 24.2 ttp-105 -72.71 -39.89 66.61 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.371 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 1.9 tt -70.79 -49.35 47.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.071 -1.018 . . . . 1.0 108.836 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.82 -31.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . 0.461 ' O ' ' NH1' ' A' ' 682' ' ' ARG . . . -69.01 -39.43 79.31 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.549 -0.719 . . . . 1.0 109.149 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -43.95 71.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 7.4 t -57.88 -33.07 68.32 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.094 -1.004 . . . . 1.0 111.03 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 679' ' ' ALA . 14.4 ptt-85 -77.59 -30.63 52.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.445 -1.409 . . . . 1.0 109.594 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -67.54 -46.99 71.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.125 -0.984 . . . . 1.0 110.719 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -55.58 -54.01 56.11 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.055 -1.028 . . . . 1.0 112.315 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.0 Cg_endo -61.98 -42.92 27.49 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.016 1.81 . . . . 1.0 112.758 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -68.33 -44.02 76.25 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.125 -0.984 . . . . 1.0 108.465 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.78 -33.92 68.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -0.808 . . . . 1.0 109.051 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -59.21 -40.22 85.12 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.13 -0.981 . . . . 1.0 108.469 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -68.17 -44.99 74.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.556 -0.715 . . . . 1.0 109.396 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.12 -46.21 71.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.345 -0.847 . . . . 1.0 109.423 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -32.35 68.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.174 -0.954 . . . . 1.0 108.445 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.28 -31.93 73.32 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.373 -0.829 . . . . 1.0 109.19 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.8 t -66.22 -37.15 84.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.337 -0.852 . . . . 1.0 110.318 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.417 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.1 m-85 -63.73 -40.64 97.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.841 -1.162 . . . . 1.0 108.906 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.3 mm? -62.24 -37.8 86.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.319 -0.863 . . . . 1.0 109.143 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -71.65 -44.12 64.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.248 -0.908 . . . . 1.0 110.874 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' A' ' 635' ' ' LEU . . . -54.74 -27.76 44.36 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 695' ' ' LEU . 2.3 p30 -116.55 10.96 14.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -1.115 . . . . 1.0 109.788 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -55.45 -31.44 61.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.981 . . . . 1.0 109.825 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' SER . . . . . 0.403 ' O ' ' CA ' ' A' ' 704' ' ' ARG . 83.5 p -58.5 -39.36 79.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.063 -1.023 . . . . 1.0 108.728 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 97.8 mt -87.97 -46.34 9.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 1.0 110.429 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.6 -32.89 63.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.821 -1.174 . . . . 1.0 108.9 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.558 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 10.0 m-85 -125.67 -66.68 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.128 -0.982 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER 79.34 110.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.3 -0.875 . . . . 1.0 109.525 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -71.83 135.05 46.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 1.0 109.488 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 6.1 t -144.25 155.76 44.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.0 109.446 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.06 -34.87 74.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.915 . . . . 1.0 109.59 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.983 -1.008 . . . . 1.0 109.421 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.388 2.515 . . . . 1.0 119.388 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 50.9 m -66.5 154.77 39.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.24 -1.153 . . . . 1.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -157.91 179.52 33.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -60.22 -34.46 73.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -1.118 . . . . 1.0 109.432 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.36 153.0 76.04 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.186 -0.946 . . . . 1.0 109.621 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -44.16 166.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.888 2.392 . . . . 1.0 112.079 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.83 152.49 22.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.107 -0.996 . . . . 1.0 109.232 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 553' ' ' GLU . 54.0 mp0 -94.39 161.42 14.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.21 -35.71 77.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.105 -0.997 . . . . 1.0 110.509 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.76 -36.86 83.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.949 -1.094 . . . . 1.0 110.418 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' VAL . . . . . 0.523 ' O ' ' OG1' ' A' ' 560' ' ' THR . 72.2 t -77.45 -43.58 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.721 -1.237 . . . . 1.0 107.708 178.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.468 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -59.11 -43.94 91.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.542 -0.724 . . . . 1.0 109.562 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 13.8 m -70.41 -31.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 1.0 109.389 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.46 -47.98 37.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 1.0 109.925 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.8 -42.27 97.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.929 -1.107 . . . . 1.0 109.591 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -34.38 69.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.092 -1.005 . . . . 1.0 109.198 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.47 84.06 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.443 -0.785 . . . . 1.0 109.548 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -61.84 -36.09 80.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.257 -0.902 . . . . 1.0 108.897 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' A' ' 568' ' ' VAL . 4.4 mp -61.57 -40.85 96.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.455 -0.778 . . . . 1.0 109.215 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.07 -33.75 73.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.307 -0.87 . . . . 1.0 109.692 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' GLN . . . . . 0.44 ' O ' ' OG1' ' A' ' 570' ' ' THR . 96.7 mt-30 -79.06 -51.16 9.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.992 -1.068 . . . . 1.0 108.497 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -63.49 -34.84 91.05 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 564' ' ' LEU . 79.2 t -71.05 -48.62 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -1.21 . . . . 1.0 108.887 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.0 p -66.81 -37.15 83.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.268 -0.895 . . . . 1.0 109.043 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 566' ' ' GLN . 95.2 m -65.5 -44.29 87.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.633 -0.667 . . . . 1.0 110.904 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 54.5 p -69.49 -35.21 75.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.024 -1.047 . . . . 1.0 110.355 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . 0.478 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 85.4 t -70.03 -37.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.898 -1.126 . . . . 1.0 109.563 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.13 82.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.169 -0.957 . . . . 1.0 108.647 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.7 -48.82 79.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 1.0 109.433 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.0 tp -57.34 -48.24 79.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.42 -0.8 . . . . 1.0 109.129 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -40.3 74.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.521 -0.737 . . . . 1.0 109.148 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -43.07 99.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 1.0 109.101 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 36.5 tp -64.34 -43.34 94.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.308 -0.87 . . . . 1.0 109.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 580' ' ' GLY . 72.7 t -73.25 -50.81 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.161 -0.962 . . . . 1.0 109.556 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 579' ' ' VAL . . . 44.29 -114.13 0.96 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.549 -1.421 . . . . 1.0 109.549 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 582' ' ' ALA . 44.3 p -114.47 28.58 8.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 1.0 109.528 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 581' ' ' SER . . . 72.62 178.89 0.23 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.92 . . . . 1.0 109.481 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 22.8 m -57.25 -36.55 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.261 -0.899 . . . . 1.0 109.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -167.39 -167.8 28.61 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.488 -1.445 . . . . 1.0 109.488 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -53.2 146.75 38.04 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.83 2.353 . . . . 1.0 112.183 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -55.39 -37.51 66.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 79.12 -163.54 49.19 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 589' ' ' ARG . 19.3 p90 -98.98 -48.54 4.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -1.136 . . . . 1.0 109.509 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 588' ' ' TRP . 0.5 OUTLIER 46.79 93.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.424 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.7 m -60.1 -42.3 94.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.94 . . . . 1.0 109.435 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' THR . . . . . 0.411 ' O ' ' CB ' ' A' ' 592' ' ' SER . 13.4 t -152.3 163.13 40.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 1.0 109.438 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 591' ' ' THR . 0.7 OUTLIER 69.9 113.91 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 1.0 109.435 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -133.42 61.61 55.17 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.88 . . . . 1.0 109.417 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.99 151.55 62.13 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.763 2.309 . . . . 1.0 112.241 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.64 137.97 58.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 1.0 109.471 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -70.43 -51.94 12.22 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.088 -1.008 . . . . 1.0 110.277 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 37.5 Cg_endo -73.5 133.95 19.78 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.135 1.89 . . . . 1.0 113.964 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.449 ' O ' ' OD2' ' A' ' 601' ' ' ASP . 86.8 Cg_exo -42.37 152.49 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.613 1.542 . . . . 1.0 111.933 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 76.6 t -70.4 -33.47 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.247 -0.908 . . . . 1.0 110.186 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.1 -45.73 91.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.041 -1.037 . . . . 1.0 109.694 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 602' ' ' LEU . 2.9 p30 -63.16 -35.42 80.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.349 -0.844 . . . . 1.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.576 ' N ' ' OD1' ' A' ' 601' ' ' ASP . 2.0 tt -77.28 -43.14 34.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 1.0 108.994 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -68.27 -39.11 82.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.347 -0.846 . . . . 1.0 109.522 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.03 -34.09 74.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 1.0 109.813 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.64 77.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.16 -0.962 . . . . 1.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.22 -36.52 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.975 -1.078 . . . . 1.0 109.507 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.61 75.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.72 95.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 1.0 109.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 1.2 t -61.8 -43.7 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 1.0 109.278 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' HIS . . . . . 0.555 ' HE2' ' CB ' ' A' ' 653' ' ' LEU . 4.9 m80 -59.24 -29.04 67.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 1.0 109.319 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -67.62 -43.89 84.02 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.08 76.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.812 -1.405 . . . . 1.0 110.277 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 609' ' ' VAL . 0.1 OUTLIER -72.11 -43.27 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 610' ' ' HIS . 43.5 m170 -55.01 -37.03 66.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 1.0 108.977 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.49 66.41 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.366 -0.976 . . . . 1.0 108.366 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.4 -44.76 67.32 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.379 -0.971 . . . . 1.0 108.379 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.433 ' CD1' ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -60.77 -35.73 77.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.367 -0.833 . . . . 1.0 108.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.46 -44.2 65.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.186 -0.946 . . . . 1.0 109.897 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.56 -45.81 91.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.031 -1.043 . . . . 1.0 109.132 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.63 90.67 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -42.11 73.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.713 -0.617 . . . . 1.0 109.651 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.6 t -60.64 -46.48 90.15 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.24 -0.913 . . . . 1.0 108.775 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.8 80.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.409 -0.807 . . . . 1.0 109.373 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' VAL . . . . . 0.546 ' O ' ' C ' ' A' ' 625' ' ' SER . 76.0 t -60.99 -48.14 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.454 -0.779 . . . . 1.0 109.803 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 624' ' ' VAL . 9.4 p 32.78 43.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.92 . . . . 1.0 109.675 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 627' ' ' ALA . 1.2 m 61.94 58.28 1.94 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.216 -0.927 . . . . 1.0 109.471 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 626' ' ' SER . . . -42.13 142.14 0.79 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.924 . . . . 1.0 109.769 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 33.1 m -87.4 158.43 19.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.359 -0.838 . . . . 1.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -92.32 132.36 36.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 1.0 109.592 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 66.7 p -136.44 -158.28 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.247 -0.908 . . . . 1.0 109.391 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 20.1 m -50.23 -41.65 50.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.243 -0.911 . . . . 1.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -99.42 131.22 45.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.968 . . . . 1.0 109.45 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -141.19 -19.08 0.79 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -0.92 . . . . 1.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.5 m -60.22 -39.67 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 1.0 109.561 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 635' ' ' LEU . 9.6 mp -60.37 -47.32 86.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.2 -0.937 . . . . 1.0 109.211 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -61.88 -46.13 90.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.209 -0.932 . . . . 1.0 108.514 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.79 75.12 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.782 -0.821 . . . . 1.0 108.782 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' LYS . . . . . 0.598 ' CB ' ' HZ3' ' A' ' 638' ' ' LYS . 0.0 OUTLIER -63.77 -38.29 90.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 1.0 109.157 178.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' LEU . . . . . 0.482 ' CD1' HD22 ' A' ' 698' ' ' ASN . 5.8 tt -59.81 -47.45 85.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 1.0 109.484 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 24.5 m -57.91 -41.91 83.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.873 . . . . 1.0 109.755 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.01 -45.31 95.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 1.0 109.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . 0.533 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 27.3 mt-30 -72.69 -30.5 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 1.0 110.159 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -50.84 61.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.129 -0.982 . . . . 1.0 109.304 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.89 -36.21 83.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -0.925 . . . . 1.0 108.849 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -63.03 -35.02 78.82 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.664 -1.235 . . . . 1.0 107.664 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 3.4 tpt -70.06 -37.65 75.55 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.383 -0.969 . . . . 1.0 108.383 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.14 -49.82 74.33 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.667 0.746 . . . . 1.0 109.081 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . 0.426 ' O ' ' OG1' ' A' ' 652' ' ' THR . 10.2 t70 -53.72 -42.71 68.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.668 -0.645 . . . . 1.0 109.955 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.47 -36.0 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 1.0 109.628 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.433 ' CE2' ' CD1' ' A' ' 617' ' ' LEU . 3.1 m-85 -62.3 -51.68 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 1.0 109.796 -179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -68.81 -36.84 78.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 1.0 109.549 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 648' ' ' ASP . 84.8 m -57.71 -41.49 81.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.207 -0.933 . . . . 1.0 109.182 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.555 ' CB ' ' HE2' ' A' ' 610' ' ' HIS . 41.9 mt -69.26 -41.56 76.74 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 1.0 109.179 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.83 -44.1 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -0.863 . . . . 1.0 109.989 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.6 -46.43 89.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.975 -1.078 . . . . 1.0 108.444 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.58 -41.49 90.33 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.277 -1.008 . . . . 1.0 108.277 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.9 -44.55 55.49 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -58.03 -40.12 80.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.01 -1.288 . . . . 1.0 109.452 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.91 -34.46 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -0.843 . . . . 1.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.71 -32.55 63.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.939 -1.101 . . . . 1.0 109.208 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.61 130.9 48.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 1.0 109.6 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 23.6 t -66.03 152.13 45.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.338 -0.851 . . . . 1.0 109.585 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 178.5 -163.08 30.78 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.457 -1.457 . . . . 1.0 109.457 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -54.67 -34.75 62.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -1.179 . . . . 1.0 109.483 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.13 12.05 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.494 -1.442 . . . . 1.0 109.494 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -137.14 74.83 0.4 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.492 -1.443 . . . . 1.0 109.492 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.47 -28.04 34.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.004 2.469 . . . . 1.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 92.22 100.39 1.38 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -143.11 162.92 34.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 1.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.569 ' HG1' ' N ' ' A' ' 671' ' ' LEU . 1.4 t -167.53 -114.9 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.282 -0.886 . . . . 1.0 109.651 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . 0.569 ' N ' ' HG1' ' A' ' 670' ' ' THR . 2.5 mm? -62.2 -26.82 68.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.0 109.211 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 22.6 p-10 -67.28 -43.06 82.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 1.0 109.517 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 0.2 OUTLIER -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 1.0 109.684 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.08 -43.63 74.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 1.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.06 -37.96 78.28 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.521 -1.288 . . . . 1.0 107.521 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -71.45 -40.28 70.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.703 -0.623 . . . . 1.0 109.504 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.12 -49.39 44.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.052 -1.03 . . . . 1.0 108.673 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.98 -32.91 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.08 -46.81 66.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.481 -0.762 . . . . 1.0 109.238 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 77.6 m -65.75 -39.43 91.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.27 -0.894 . . . . 1.0 109.691 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 0.1 OUTLIER -54.65 -34.32 62.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.193 -0.942 . . . . 1.0 110.575 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -78.8 -28.48 44.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.657 -1.277 . . . . 1.0 109.674 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.42 63.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.135 -0.978 . . . . 1.0 110.446 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -50.05 87.41 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.157 -0.965 . . . . 1.0 112.338 -175.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.8 Cg_exo -65.38 -41.93 14.41 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.604 1.536 . . . . 1.0 112.678 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -40.09 92.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.909 -1.119 . . . . 1.0 108.682 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -75.77 -35.88 60.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.516 -0.74 . . . . 1.0 109.586 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.06 95.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.1 . . . . 1.0 108.87 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.433 -0.792 . . . . 1.0 109.376 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.82 -43.04 72.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 1.0 108.922 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.69 -36.2 78.18 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -35.87 77.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 1.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.4 m -68.15 -35.16 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 1.0 109.726 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.533 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.2 m-30 -65.03 -42.13 94.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 1.0 108.789 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.9 mp -62.76 -35.62 80.41 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.251 -0.906 . . . . 1.0 108.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -70.48 -40.68 73.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -0.81 . . . . 1.0 109.654 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.68 -26.17 64.48 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.166 -1.574 . . . . 1.0 109.166 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' ASN . . . . . 0.482 HD22 ' CD1' ' A' ' 639' ' ' LEU . 30.7 p30 -119.34 3.29 11.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.464 -1.021 . . . . 1.0 109.531 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -49.74 -39.89 39.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 1.0 109.396 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 704' ' ' ARG . 36.4 m -51.22 -35.23 35.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.223 -0.923 . . . . 1.0 109.72 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 95.0 mt -87.29 -41.07 13.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 1.0 110.796 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.43 -32.96 65.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.878 -1.139 . . . . 1.0 108.864 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 705' ' ' ARG . 8.8 m-85 -116.53 -75.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 1.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 700' ' ' SER . 60.6 ttt-85 -67.51 64.51 0.07 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.328 -0.858 . . . . 1.0 109.256 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 703' ' ' PHE . 94.6 mtt180 -49.92 -31.9 13.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 1.0 109.48 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 20.3 p -69.92 154.04 42.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.939 . . . . 1.0 109.489 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -162.82 92.42 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 1.0 109.435 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.993 -1.003 . . . . 1.0 109.487 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.482 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.6 tp -57.71 -41.28 81.43 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.251 -0.906 . . . . 1.0 109.561 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.14 -41.02 97.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.118 -0.989 . . . . 1.0 109.799 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.518 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.5 t -69.87 -47.0 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.647 -1.242 . . . . 1.0 107.647 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.47 82.25 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.523 -0.918 . . . . 1.0 108.523 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.0 t -70.3 -39.27 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.391 -0.818 . . . . 1.0 108.962 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.88 -51.93 23.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.38 -0.825 . . . . 1.0 110.164 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.3 OUTLIER -62.95 -45.97 89.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.899 -1.125 . . . . 1.0 109.944 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.89 -38.27 85.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.92 -1.113 . . . . 1.0 109.79 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.79 -35.23 70.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.0 109.732 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -65.01 -39.48 93.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 1.0 108.897 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.6 mp -61.81 -42.82 99.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.569 -0.707 . . . . 1.0 109.919 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.88 -34.54 76.22 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 1.0 109.717 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -77.85 -48.55 16.2 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.791 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.54 -33.15 83.83 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 572' ' ' VAL . 52.3 t -74.86 -48.75 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.135 -1.215 . . . . 1.0 108.603 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 24.3 t -64.67 -31.68 73.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.278 -0.889 . . . . 1.0 108.757 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 574' ' ' HIS . 59.8 m -76.04 -40.54 53.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.627 -0.67 . . . . 1.0 109.606 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 567' ' ' GLY . 30.7 p -69.18 -45.41 70.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 1.0 109.472 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 568' ' ' VAL . 26.6 m -60.58 -34.76 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 1.0 109.091 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 572' ' ' VAL . . . -59.13 -37.61 77.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 570' ' ' THR . 3.2 m-70 -60.45 -43.61 96.7 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.601 -0.687 . . . . 1.0 109.673 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.5 tp -54.61 -45.4 73.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 1.0 109.836 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -36.48 71.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 1.0 109.38 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -63.63 -37.97 89.34 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.22 -0.925 . . . . 1.0 109.263 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.45 -35.83 68.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0 109.525 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 575' ' ' LEU . 56.4 t . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 1.0 109.522 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.165 0.507 . . . . 1.0 109.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.71 -41.95 78.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.175 -0.953 . . . . 1.0 109.45 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.304 -0.872 . . . . 1.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 606' ' ' VAL . 32.9 tp -71.84 -43.49 65.45 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.382 -0.824 . . . . 1.0 109.084 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.88 -34.5 76.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.372 -0.83 . . . . 1.0 109.92 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.08 -40.33 68.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.894 . . . . 1.0 110.54 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.53 -46.62 59.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.029 -1.044 . . . . 1.0 110.252 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 607' ' ' ALA . 11.7 p -62.14 -40.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.976 -1.078 . . . . 1.0 109.38 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.473 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -69.54 -35.47 75.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0 109.506 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.3 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 1.0 109.73 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.486 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.5 OUTLIER -62.39 -42.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.112 -0.993 . . . . 1.0 109.158 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.688 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 24.6 m170 -63.06 -37.92 89.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 1.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.41 -41.18 96.91 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.61 77.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.909 -1.348 . . . . 1.0 109.746 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.625 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.7 t -65.79 -47.12 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 1.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.19 -38.23 62.65 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.401 -0.963 . . . . 1.0 108.401 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.11 -32.32 72.0 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.227 -1.027 . . . . 1.0 108.227 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.673 ' CD1' ' HB1' ' A' ' 688' ' ' ALA . 2.4 tt -71.06 -42.42 69.45 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.603 -1.258 . . . . 1.0 107.603 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -40.88 94.5 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.765 -1.198 . . . . 1.0 107.765 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.12 -45.15 61.68 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.354 -0.841 . . . . 1.0 109.7 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -61.75 -47.81 83.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 1.0 109.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -63.17 -38.58 91.73 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.412 -0.958 . . . . 1.0 108.412 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -47.42 83.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.747 -0.596 . . . . 1.0 109.809 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 49.4 m -58.83 -42.04 88.31 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 1.0 109.317 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.95 78.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 1.0 109.644 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 620' ' ' ALA . 62.3 t -60.58 -38.1 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 1.0 109.481 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 1.0 109.465 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.13 -47.3 83.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 1.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -61.04 -44.16 97.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.044 -1.035 . . . . 1.0 108.482 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.53 73.32 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -63.95 -44.9 91.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.0 109.805 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.429 HD21 HG22 ' A' ' 624' ' ' VAL . 23.3 tp -69.36 -47.33 64.65 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.896 . . . . 1.0 109.676 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 19.4 m -60.88 -42.12 97.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 1.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -60.15 -46.68 88.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.254 -0.904 . . . . 1.0 109.677 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -75.12 -36.82 61.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 1.0 109.966 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.32 -48.88 54.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.292 -0.88 . . . . 1.0 109.879 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 645' ' ' LYS . 11.6 pt20 -63.74 -35.23 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.043 . . . . 1.0 108.842 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.493 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.69 -37.11 86.13 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.713 -1.218 . . . . 1.0 107.713 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 27.0 tpp -67.96 -38.57 82.93 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.99 -51.51 68.94 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.986 -0.746 . . . . 1.0 108.986 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' ASP . . . . . 0.64 ' O ' HG23 ' A' ' 652' ' ' THR . 29.5 t0 -64.23 -40.68 96.55 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.542 -0.724 . . . . 1.0 109.431 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.4 t -70.55 -35.21 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.326 -0.859 . . . . 1.0 109.81 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.688 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 14.5 t80 -68.86 -39.73 79.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.0 109.909 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.87 -29.76 65.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.89 -1.132 . . . . 1.0 109.464 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 648' ' ' ASP . 37.0 p -66.2 -37.1 84.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 1.0 110.508 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 680' ' ' CYS . 9.4 mt -73.46 -33.79 65.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.77 -1.206 . . . . 1.0 109.87 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.59 -43.13 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 1.0 109.067 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -68.67 -43.86 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.046 -1.034 . . . . 1.0 108.523 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -65.43 -37.93 88.38 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.485 -1.302 . . . . 1.0 107.485 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.48 -44.12 42.51 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -57.0 -31.36 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.036 -1.273 . . . . 1.0 108.685 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 655' ' ' VAL . 80.0 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.35 -0.844 . . . . 1.0 108.936 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.3 OUTLIER -65.19 -28.94 69.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.291 -0.88 . . . . 1.0 109.241 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.427 ' N ' ' HG ' ' A' ' 660' ' ' LEU . 55.7 t0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.416 -0.803 . . . . 1.0 109.556 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.75 -26.03 63.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 1.0 108.631 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.68 -48.52 81.34 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 1.0 109.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 673' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' A' ' 676' ' ' ARG . 75.9 m-20 -55.81 -35.42 66.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.38 -0.825 . . . . 1.0 110.069 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.7 -34.73 77.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 1.0 109.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.08 -36.47 79.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.525 -1.287 . . . . 1.0 107.525 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' A' ' 673' ' ' ASP . 87.7 mtm-85 -75.05 -36.69 61.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.697 -0.627 . . . . 1.0 109.497 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.76 -46.75 71.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.966 -1.084 . . . . 1.0 108.705 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' VAL . . . . . 0.528 HG12 ' HE ' ' A' ' 682' ' ' ARG . 79.3 t -58.49 -31.06 42.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.77 -46.88 51.03 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.54 -0.725 . . . . 1.0 109.501 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 653' ' ' LEU . 59.2 m -67.35 -37.94 84.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.121 -0.987 . . . . 1.0 109.41 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.618 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -57.01 -34.73 68.46 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 1.0 110.416 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.528 ' HE ' HG12 ' A' ' 678' ' ' VAL . 0.0 OUTLIER -73.04 -25.8 61.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.87 -1.144 . . . . 1.0 110.551 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.69 -42.47 67.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.98 -1.075 . . . . 1.0 111.657 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.563 HG11 HG21 ' A' ' 613' ' ' VAL . 2.1 t -60.28 -51.73 78.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 1.0 112.192 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.618 ' CD ' ' O ' ' A' ' 681' ' ' SER . 36.7 Cg_endo -65.82 -37.43 27.55 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.011 1.807 . . . . 1.0 112.955 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.36 -38.19 79.79 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.882 -1.136 . . . . 1.0 108.01 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -72.14 -30.05 64.64 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' ALA . . . . . 0.673 ' HB1' ' CD1' ' A' ' 616' ' ' LEU . . . -59.68 -43.4 94.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.21 -0.932 . . . . 1.0 108.693 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.19 -43.34 87.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.444 -0.785 . . . . 1.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.23 -42.0 89.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.943 -1.098 . . . . 1.0 110.0 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mt -60.39 -35.16 75.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.966 -1.084 . . . . 1.0 108.673 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.5 -36.14 75.47 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.5 m -65.92 -41.5 91.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -0.893 . . . . 1.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.484 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.2 m-85 -64.94 -36.24 83.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 1.0 108.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 699' ' ' ALA . 95.0 mt -61.5 -37.66 84.46 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 40.8 m80 -66.79 -47.56 71.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.461 -0.775 . . . . 1.0 110.128 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -55.44 -27.2 47.09 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.843 -1.303 . . . . 1.0 109.843 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.63 4.79 10.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -1.21 . . . . 1.0 109.689 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.61 -40.03 59.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 1.0 109.661 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 78.8 p -52.16 -35.63 49.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.224 -0.922 . . . . 1.0 109.605 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.68 -37.92 16.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 1.0 110.342 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.45 -33.97 66.4 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.614 -1.304 . . . . 1.0 107.993 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -121.07 -80.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.411 -0.806 . . . . 1.0 109.638 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 120.971 -1.081 . . . . 1.0 109.667 -179.762 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.796 0.807 . . . . 1.0 109.106 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.33 -41.24 75.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.0 tt0 -57.81 -44.66 86.52 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.502 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.2 -45.29 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.14 81.31 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.165 -0.68 . . . . 1.0 109.165 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -44.23 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.053 -1.029 . . . . 1.0 109.151 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 65.2 mm-40 -71.61 -48.79 45.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.167 -0.958 . . . . 1.0 109.277 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.6 m -59.69 -45.58 91.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.776 -1.202 . . . . 1.0 109.822 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.38 -46.71 89.0 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.159 -0.963 . . . . 1.0 109.747 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.16 85.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.396 -0.815 . . . . 1.0 109.939 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 566' ' ' GLN . 0.0 OUTLIER -61.08 -38.0 84.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.017 -1.052 . . . . 1.0 109.345 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -75.31 -41.06 57.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.862 . . . . 1.0 109.395 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.27 -30.0 71.22 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.392 -0.817 . . . . 1.0 110.393 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 563' ' ' ARG . 96.2 mt-30 -77.42 -45.32 26.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 1.0 108.795 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -32.13 82.73 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 564' ' ' LEU . 58.3 t -69.24 -49.91 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.109 -1.23 . . . . 1.0 109.013 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 87.0 p -66.99 -37.78 84.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.226 -0.921 . . . . 1.0 108.85 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 48.9 m -62.91 -42.88 99.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 1.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 567' ' ' GLY . 66.9 p -67.86 -33.47 74.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.167 -0.958 . . . . 1.0 109.404 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 568' ' ' VAL . 71.6 t -61.51 -40.27 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.163 -0.961 . . . . 1.0 108.926 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.75 80.29 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.362 -0.977 . . . . 1.0 108.362 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -55.58 -51.62 66.49 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.333 -0.854 . . . . 1.0 109.053 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 579' ' ' VAL . 0.9 OUTLIER -57.88 -47.72 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 1.0 109.467 179.606 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.496 HD13 HG12 ' A' ' 572' ' ' VAL . 5.4 mp -65.39 -31.45 72.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 1.0 108.991 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.95 -40.73 65.12 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.448 -0.782 . . . . 1.0 109.134 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 578' ' ' LEU . 38.9 tp -66.18 -44.45 83.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 1.0 109.551 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 575' ' ' LEU . 19.0 m . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 1.0 109.531 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.207 0.527 . . . . 1.0 109.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.08 -41.28 78.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 1.0 109.282 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.64 -33.6 74.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.297 -0.877 . . . . 1.0 109.364 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.8 tt -62.02 -42.85 99.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 1.0 109.005 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -60.13 -35.48 75.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.864 . . . . 1.0 109.64 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.5 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 110.103 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.62 -47.24 55.93 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.206 -0.933 . . . . 1.0 110.421 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.5 m -71.32 -36.25 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.905 -1.122 . . . . 1.0 109.423 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -61.8 -36.21 80.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.92 42.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 1.0 110.193 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -62.73 -42.79 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.971 -1.08 . . . . 1.0 109.479 -178.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.499 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 1.4 m-70 -67.05 -38.87 86.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 1.0 109.549 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.91 95.37 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.077 -1.609 . . . . 1.0 109.077 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.54 79.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -1.105 . . . . 1.0 109.321 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 609' ' ' VAL . 90.8 t -66.92 -44.2 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.234 -0.916 . . . . 1.0 108.867 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -54.48 -34.1 60.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.862 . . . . 1.0 108.904 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.16 -33.45 75.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.182 -0.949 . . . . 1.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.0 tp -66.43 -37.69 85.75 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.855 -0.795 . . . . 1.0 108.855 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' A' ' 650' ' ' TYR . 1.4 mp -75.13 -39.44 60.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.748 -0.595 . . . . 1.0 111.135 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -45.99 53.35 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.683 -1.261 . . . . 1.0 111.481 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.722 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.2 OUTLIER -71.26 -40.56 70.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.689 -1.257 . . . . 1.0 109.054 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.722 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.78 -40.29 91.82 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.423 ' CD ' ' C ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -60.48 -37.3 80.59 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.794 -0.817 . . . . 1.0 108.794 178.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 22.1 t -59.48 -36.25 75.66 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.797 -0.816 . . . . 1.0 108.797 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.9 -43.01 72.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.436 -0.79 . . . . 1.0 109.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 702' ' ' LEU . 73.3 t -64.39 -40.81 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.0 109.797 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 1.0 108.783 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.799 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.42 -46.85 85.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.0 109.378 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 636' ' ' HIS . . . . . 0.533 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 44.2 t-80 -62.62 -41.32 98.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 1.0 108.187 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.0 75.42 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.22 -47.05 81.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 1.0 109.682 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.96 -47.34 74.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 1.0 109.43 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 640' ' ' SER . . . . . 0.533 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 40.8 m -61.87 -39.42 91.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.313 -0.867 . . . . 1.0 110.22 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -60.74 -46.2 91.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.365 -0.835 . . . . 1.0 110.177 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -73.23 -47.52 42.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 643' ' ' LEU . 28.5 tp -55.9 -46.5 78.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 1.0 109.971 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.0 -32.14 73.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 1.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 649' ' ' VAL . 2.4 tmtt? -67.27 -41.8 84.92 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.859 -1.163 . . . . 1.0 107.859 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.513 ' SD ' HD22 ' A' ' 691' ' ' LEU . 10.7 mtp -64.87 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.216 -1.031 . . . . 1.0 108.216 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.85 -51.16 70.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.609 0.719 . . . . 1.0 109.214 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -61.21 -40.34 93.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.613 -0.679 . . . . 1.0 109.428 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 645' ' ' LYS . 58.1 t -72.09 -37.16 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.24 -0.913 . . . . 1.0 109.637 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.897 ' CD2' HD22 ' A' ' 617' ' ' LEU . 3.6 m-30 -57.73 -41.17 81.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.062 -1.023 . . . . 1.0 109.375 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.87 -36.82 64.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.174 -0.954 . . . . 1.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 45.8 m -59.77 -46.43 89.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 1.0 109.289 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 680' ' ' CYS . 86.5 mt -69.38 -35.83 76.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 1.0 109.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 650' ' ' TYR . 70.2 t -65.16 -44.11 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 1.0 109.477 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 659' ' ' VAL . 84.1 t -67.13 -43.16 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.087 -1.008 . . . . 1.0 108.492 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 656' ' ' HIS . 0.0 OUTLIER -65.12 -41.22 95.07 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.413 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.57 66.14 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.77 -28.56 68.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.122 -1.222 . . . . 1.0 109.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -63.5 -40.27 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 1.0 109.878 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.9 OUTLIER -57.26 -23.02 45.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.166 -0.958 . . . . 1.0 109.362 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 1.0 109.572 -179.731 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.7 mt -53.78 -23.71 12.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.0 109.216 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -64.99 -47.22 78.32 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.292 -0.88 . . . . 1.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.63 -36.84 67.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.279 -0.888 . . . . 1.0 109.55 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -62.37 -36.89 83.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.36 -0.837 . . . . 1.0 109.433 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.07 -37.0 78.6 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 676' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 80.4 mtp180 -74.34 -37.81 63.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.46 -48.51 67.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.149 -0.97 . . . . 1.0 108.472 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 678' ' ' VAL . . . . . 0.42 HG22 HD21 ' A' ' 575' ' ' LEU . 75.7 t -57.93 -29.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.004 -1.109 . . . . 1.0 108.004 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 679' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -64.8 -41.71 95.6 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -67.6 -38.43 83.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 1.0 109.628 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.638 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 25.3 t -58.59 -34.81 71.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.255 -0.903 . . . . 1.0 111.401 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -77.61 -32.78 53.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.568 -1.333 . . . . 1.0 110.051 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.6 65.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.132 -0.98 . . . . 1.0 111.482 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -56.5 -52.99 69.03 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 1.0 112.368 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.638 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.5 Cg_endo -63.19 -41.17 28.97 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.986 1.791 . . . . 1.0 113.153 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.51 -41.53 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.816 -1.178 . . . . 1.0 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.43 -29.8 62.81 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.532 -0.73 . . . . 1.0 109.312 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 688' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.37 -42.03 94.94 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.12 -0.988 . . . . 1.0 108.721 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.38 -41.18 89.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.534 -0.729 . . . . 1.0 109.478 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.26 -43.31 78.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 1.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 691' ' ' LEU . . . . . 0.513 HD22 ' SD ' ' A' ' 646' ' ' MET . 6.1 tp -60.19 -36.94 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.8 -32.74 69.63 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.743 -0.836 . . . . 1.0 108.743 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.6 m -68.59 -38.54 80.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.0 109.387 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -0.949 . . . . 1.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 699' ' ' ALA . 4.0 mm? -64.84 -36.98 86.1 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.081 -1.081 . . . . 1.0 108.081 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 3.2 t-80 -70.83 -43.88 67.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 1.0 109.895 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.53 -29.34 47.6 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.809 -1.316 . . . . 1.0 109.809 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -122.73 9.03 9.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -1.197 . . . . 1.0 109.629 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.57 -31.32 62.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.185 -0.947 . . . . 1.0 109.434 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 700' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 704' ' ' ARG . 20.0 m -53.61 -38.03 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.968 . . . . 1.0 109.909 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.0 mt -87.58 -33.96 18.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.984 . . . . 1.0 110.369 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 624' ' ' VAL . 71.0 mt -59.27 -35.61 74.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.924 -1.11 . . . . 1.0 108.107 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -118.56 -74.57 0.6 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 1.0 109.167 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 700' ' ' SER . 53.1 ttt85 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.283 -0.885 . . . . 1.0 109.875 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.157 -0.682 . . . . 1.0 109.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.428 HD13 ' HB1' ' A' ' 699' ' ' ALA . 28.6 tp -57.81 -36.75 72.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 1.0 110.47 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.88 -40.27 94.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.936 -1.103 . . . . 1.0 109.719 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 84.3 t -72.2 -41.07 66.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.945 -1.132 . . . . 1.0 107.945 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.63 98.52 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.904 -0.776 . . . . 1.0 108.904 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -34.46 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.037 -1.039 . . . . 1.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.11 -50.54 19.05 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 1.0 109.531 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 87.9 m -60.18 -40.63 90.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.807 -1.183 . . . . 1.0 110.021 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.89 -46.85 86.85 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.22 -0.925 . . . . 1.0 110.275 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.34 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 1.0 110.413 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -64.24 -38.97 92.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.918 -1.114 . . . . 1.0 108.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.0 mp -73.99 -36.54 64.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.323 -0.861 . . . . 1.0 109.735 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' GLN . . . . . 0.668 HE22 HD11 ' A' ' 616' ' ' LEU . 0.6 OUTLIER -62.94 -34.57 77.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.936 . . . . 1.0 110.644 -179.15 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.77 -41.4 30.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.828 -1.17 . . . . 1.0 108.793 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.31 -33.35 84.15 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.425 -1.87 . . . . 1.0 108.425 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 564' ' ' LEU . 70.2 t -71.59 -49.42 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.41 -1.053 . . . . 1.0 108.784 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 m -68.59 -37.02 79.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -0.886 . . . . 1.0 108.792 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.1 m -62.26 -42.72 99.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 1.0 109.824 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.823 ' OG1' HG23 ' A' ' 609' ' ' VAL . 66.8 p -67.87 -33.66 75.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 1.0 110.055 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.39 -39.41 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.12 -0.988 . . . . 1.0 109.158 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.61 82.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.372 -0.83 . . . . 1.0 109.395 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -62.28 -47.78 82.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 1.0 109.521 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.35 -45.36 76.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 1.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -41.5 69.29 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.182 -0.949 . . . . 1.0 108.59 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.54 -41.04 96.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.5 -0.75 . . . . 1.0 109.404 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.5 tt -71.99 -43.71 64.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.0 109.468 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 1.0 109.557 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.096 0.474 . . . . 1.0 109.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -57.98 -40.36 80.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 1.0 109.116 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.28 -43.67 97.23 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 121.359 -0.838 . . . . 1.0 108.949 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.0 OUTLIER -69.94 -42.95 72.57 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.432 -0.793 . . . . 1.0 109.137 179.79 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -59.78 -33.88 72.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.438 -0.789 . . . . 1.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 1.0 110.15 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.35 65.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.179 -0.951 . . . . 1.0 110.254 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.443 ' H ' HG13 ' A' ' 606' ' ' VAL . 1.3 m -69.53 -34.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.007 -1.058 . . . . 1.0 109.661 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -64.21 -31.6 72.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -0.932 . . . . 1.0 109.56 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.62 -53.86 16.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 1.0 110.366 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.823 HG23 ' OG1' ' A' ' 571' ' ' THR . 3.9 p -62.24 -42.06 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 1.0 109.658 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.63 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -63.73 -41.83 97.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.111 -0.993 . . . . 1.0 109.267 179.046 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -58.59 -41.07 95.4 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.699 -1.76 . . . . 1.0 108.699 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.19 73.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -1.09 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 650' ' ' TYR . 25.6 t -68.05 -44.51 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.581 -1.325 . . . . 1.0 108.476 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.42 -38.33 71.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -0.826 . . . . 1.0 109.529 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 618' ' ' GLU . 77.6 mm-40 -59.22 -36.72 75.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.899 -1.126 . . . . 1.0 107.965 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.668 HD11 HE22 ' A' ' 565' ' ' GLN . 5.7 tp -68.06 -37.27 81.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.791 -0.568 . . . . 1.0 109.669 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.566 HD23 ' OE2' ' A' ' 647' ' ' GLU . 5.1 mp -76.1 -41.08 51.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 1.0 111.352 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 619' ' ' PHE . 16.2 pt-20 -72.77 -44.89 61.02 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.779 -1.2 . . . . 1.0 111.195 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.1 OUTLIER -71.32 -42.06 69.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.697 -1.252 . . . . 1.0 108.91 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.76 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -62.48 -38.98 91.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.518 -1.29 . . . . 1.0 107.518 178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.15 75.85 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 13.0 t -58.88 -37.58 76.89 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.889 -0.782 . . . . 1.0 108.889 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.83 82.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.332 -0.855 . . . . 1.0 109.607 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.474 HG22 HD21 ' A' ' 639' ' ' LEU . 93.9 t -63.96 -41.74 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -0.832 . . . . 1.0 109.922 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 1.0 109.005 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 82.1 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.59 -47.23 84.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 1.0 109.217 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -59.63 -47.58 85.04 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' ALA . . . . . 0.713 ' HB1' ' HE ' ' A' ' 641' ' ' ARG . . . -62.65 -51.8 65.81 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.435 -0.95 . . . . 1.0 108.435 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -60.66 -38.66 85.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.41 -0.806 . . . . 1.0 109.681 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 624' ' ' VAL . 53.8 tp -73.94 -45.93 47.29 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.23 -0.919 . . . . 1.0 109.201 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 21.6 m -61.53 -45.73 92.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.892 . . . . 1.0 110.468 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' ARG . . . . . 0.713 ' HE ' ' HB1' ' A' ' 637' ' ' ALA . 46.6 mtt-85 -60.83 -45.72 93.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.881 -1.137 . . . . 1.0 110.17 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.68 -44.16 64.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.927 -1.108 . . . . 1.0 109.813 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -70.14 -41.71 73.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.16 -0.962 . . . . 1.0 110.025 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.8 -37.0 86.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.06 -1.025 . . . . 1.0 108.572 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -63.44 -37.91 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 617' ' ' LEU . 13.4 tpp -67.24 -37.54 83.7 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.941 0.877 . . . . 1.0 108.723 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.566 ' OE2' HD23 ' A' ' 617' ' ' LEU . 54.5 mm-40 -63.64 -51.27 65.92 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.62 0.724 . . . . 1.0 109.637 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.29 -42.84 74.94 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.482 -0.761 . . . . 1.0 109.779 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.69 -44.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.0 109.307 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.709 ' CD1' HG11 ' A' ' 613' ' ' VAL . 22.5 t80 -62.88 -33.59 75.62 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.391 -0.818 . . . . 1.0 109.864 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.45 -32.25 72.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 1.0 109.812 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 62.4 m -65.89 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 1.0 109.204 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.99 -36.21 82.68 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 1.0 109.138 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.78 -44.58 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.36 -0.838 . . . . 1.0 109.655 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.58 -46.28 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.901 -1.125 . . . . 1.0 108.283 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.94 -37.46 82.41 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.35 -41.6 37.14 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.25 -29.0 57.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.101 -1.235 . . . . 1.0 109.343 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -39.81 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 1.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.454 HD11 HD13 ' A' ' 602' ' ' LEU . 1.2 tt -81.3 89.36 6.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.024 -1.048 . . . . 1.0 109.394 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 1.0 109.552 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.238 0.542 . . . . 1.0 109.747 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.9 -24.41 51.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.0 109.4 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.0 -48.24 82.51 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.37 -0.831 . . . . 1.0 109.557 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.03 -33.73 67.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.0 109.747 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.75 -37.98 83.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 1.0 109.475 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.54 -36.23 79.99 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.316 -1.364 . . . . 1.0 107.316 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -73.7 -38.59 64.8 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.122 -0.696 . . . . 1.0 109.122 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.0 tt -69.8 -48.05 60.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 1.0 108.873 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.05 -31.01 40.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.068 -1.086 . . . . 1.0 108.068 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.19 57.38 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.594 -0.691 . . . . 1.0 109.199 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 15.5 m -63.5 -36.19 82.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 1.0 109.206 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.581 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.8 t -58.67 -33.89 70.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.268 -0.895 . . . . 1.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -71.68 -25.95 62.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.731 -1.23 . . . . 1.0 109.537 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.42 -43.08 70.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 1.0 111.171 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 684' ' ' VAL . 0.0 OUTLIER -57.95 -51.74 79.53 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.864 -1.147 . . . . 1.0 112.012 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.581 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.6 Cg_exo -61.02 -43.8 28.06 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.901 1.734 . . . . 1.0 112.949 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.68 -40.62 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.733 -1.229 . . . . 1.0 108.073 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.42 -36.07 78.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.719 . . . . 1.0 109.455 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.08 98.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.008 . . . . 1.0 108.771 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 689' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 29.6 ttmt -66.53 -48.91 68.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.389 -0.82 . . . . 1.0 108.931 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.78 -43.42 98.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.435 -0.791 . . . . 1.0 109.171 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.14 -34.74 70.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.048 -1.093 . . . . 1.0 108.048 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 689' ' ' LYS . . . -59.17 -35.56 73.76 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.388 -0.82 . . . . 1.0 108.934 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.9 t -63.91 -41.51 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 1.0 109.945 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -61.2 -39.97 92.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -0.996 . . . . 1.0 108.523 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.1 mp -62.52 -40.32 96.39 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.75 -51.41 68.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.62 -0.675 . . . . 1.0 110.419 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.73 -23.86 61.52 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.76 -1.209 . . . . 1.0 110.12 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 702' ' ' LEU . 4.9 m-20 -114.67 9.29 16.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.328 . . . . 1.0 109.73 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.5 -28.11 66.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 1.0 109.56 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 29.7 m -66.9 -45.41 78.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 1.0 109.723 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.2 -20.68 15.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.0 110.26 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 698' ' ' ASN . 55.0 tp -63.2 -28.63 70.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.8 -1.187 . . . . 1.0 108.403 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -122.11 -99.07 0.43 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.465 -0.772 . . . . 1.0 109.198 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.389 -0.819 . . . . 1.0 109.088 -179.902 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 553' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 555' ' ' GLU . 84.7 tt0 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 555' ' ' GLU . 2.0 pp -58.21 -34.26 70.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.375 -0.828 . . . . 1.0 108.998 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 554' ' ' LEU . 79.0 mm-40 -66.81 -37.66 84.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.226 -0.921 . . . . 1.0 110.051 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.638 ' O ' ' OG1' ' A' ' 560' ' ' THR . 74.3 t -72.17 -47.88 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.771 -1.206 . . . . 1.0 107.901 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -57.31 -39.9 76.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.629 -0.67 . . . . 1.0 109.225 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.5 -35.74 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 1.0 109.723 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.1 -46.4 43.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.038 . . . . 1.0 109.808 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -62.3 -48.14 81.2 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.63 -0.669 . . . . 1.0 109.784 -179.632 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 561' ' ' LEU . 2.6 tt -68.16 -39.66 82.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.202 -0.936 . . . . 1.0 109.614 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.4 98.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.399 -0.813 . . . . 1.0 110.087 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -62.73 -33.38 75.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.088 -1.008 . . . . 1.0 108.641 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 619' ' ' PHE . 4.8 mp -67.2 -38.13 84.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.51 -0.743 . . . . 1.0 109.684 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' GLN . . . . . 0.405 ' HB3' HE21 ' A' ' 565' ' ' GLN . 6.7 mm100 -60.55 -31.85 70.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 1.0 109.207 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.56 -45.72 43.58 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -33.61 87.45 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 572' ' ' VAL . 42.7 t -72.6 -49.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.071 -1.252 . . . . 1.0 108.895 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -41.01 92.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.205 -0.934 . . . . 1.0 109.3 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.2 m -62.35 -40.08 95.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.526 -0.734 . . . . 1.0 110.487 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 567' ' ' GLY . 27.2 p -67.74 -32.91 73.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.002 -1.061 . . . . 1.0 109.77 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.47 HG21 ' HG3' ' A' ' 685' ' ' PRO . 77.3 t -71.66 -35.09 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 1.0 109.55 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.31 99.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.997 . . . . 1.0 108.656 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' HIS . . . . . 0.652 ' ND1' ' O ' ' A' ' 571' ' ' THR . 1.0 OUTLIER -67.66 -42.0 82.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.704 -0.623 . . . . 1.0 109.582 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.65 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 6.0 tp -58.29 -45.07 88.63 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.383 -0.823 . . . . 1.0 109.644 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -33.44 70.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 1.0 109.322 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -72.18 -43.07 65.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 1.0 109.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 578' ' ' LEU . 37.7 tp -66.93 -43.38 83.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 1.0 109.607 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 1.0 109.533 -179.742 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.03 -46.11 90.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.181 -0.949 . . . . 1.0 109.347 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.09 -32.76 73.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.294 -0.879 . . . . 1.0 109.335 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 660' ' ' LEU . 1.2 mp -63.62 -40.6 97.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 1.0 109.021 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -59.41 -39.25 82.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.338 -0.851 . . . . 1.0 109.579 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.04 71.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 1.0 109.594 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 575' ' ' LEU . . . -67.39 -46.96 71.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.412 -0.805 . . . . 1.0 110.293 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.41 -37.11 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.909 -1.119 . . . . 1.0 109.532 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.88 -32.34 73.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.98 . . . . 1.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.83 40.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.0 109.563 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.518 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -63.07 -42.55 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 1.0 109.116 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.453 ' O ' HG12 ' A' ' 613' ' ' VAL . 16.1 t-80 -63.42 -38.36 90.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.028 -1.045 . . . . 1.0 109.821 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -69.45 -45.61 59.4 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.434 -0.889 . . . . 1.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.12 70.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.758 -1.437 . . . . 1.0 110.27 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 650' ' ' TYR . 2.1 p -69.63 -43.23 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.123 . . . . 1.0 108.35 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 614' ' ' HIS . . . . . 0.527 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 49.8 t-80 -53.92 -32.47 53.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 1.0 108.79 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -64.83 -30.5 71.5 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.926 -1.139 . . . . 1.0 107.926 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.03 -43.85 73.9 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.0 OUTLIER -62.3 -40.27 95.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.142 -1.058 . . . . 1.0 108.142 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 618' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 621' ' ' ARG . 75.4 mm-40 -72.85 -46.27 53.81 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.184 -0.947 . . . . 1.0 109.401 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.1 m-85 -62.38 -47.27 84.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.03 -1.044 . . . . 1.0 109.129 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.36 88.6 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.167 -0.958 . . . . 1.0 108.642 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 618' ' ' GLU . 0.0 OUTLIER -68.78 -37.43 79.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.691 -0.63 . . . . 1.0 109.767 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.4 m -57.22 -44.5 83.79 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.099 -1.0 . . . . 1.0 109.098 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.331 -0.856 . . . . 1.0 109.694 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.17 -37.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 1.0 109.492 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 1.0 109.694 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.425 -0.583 . . . . 1.0 109.425 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 698' ' ' ASN . 4.1 mm? -60.05 -46.8 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0 109.356 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -61.39 -46.11 91.51 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.39 74.04 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.849 -0.796 . . . . 1.0 108.849 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' LYS . . . . . 0.58 ' NZ ' ' CE2' ' A' ' 694' ' ' PHE . 2.6 mtpp -62.85 -44.92 94.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.409 -0.807 . . . . 1.0 108.992 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 639' ' ' LEU . 6.2 tt -66.84 -46.9 73.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 1.0 109.756 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -63.37 -42.09 98.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.818 . . . . 1.0 109.906 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 -59.77 -46.54 88.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.0 109.756 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.417 ' HB2' HE21 ' A' ' 642' ' ' GLN . 3.0 tp-100 -68.54 -33.83 74.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.0 109.701 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.01 -45.34 85.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 1.0 109.641 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.18 -35.07 76.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 1.0 108.769 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.91 -36.73 84.91 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.2 -1.037 . . . . 1.0 108.2 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.2 mtp -69.58 -37.57 77.02 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 617' ' ' LEU . 61.8 mm-40 -59.7 -49.74 76.56 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.325 -0.991 . . . . 1.0 108.325 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.85 -41.21 99.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.799 -0.563 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 645' ' ' LYS . 95.7 t -74.57 -37.29 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.0 109.75 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.946 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -62.94 -46.29 88.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0 109.11 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.17 -29.42 66.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 1.0 109.561 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 86.9 m -57.54 -41.86 81.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.228 -0.92 . . . . 1.0 109.252 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 657' ' ' GLY . 3.4 mt -67.77 -39.81 84.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.351 -0.843 . . . . 1.0 109.084 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.6 -44.22 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.314 -0.866 . . . . 1.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 t -67.21 -47.2 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.206 -1.035 . . . . 1.0 108.206 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -60.89 -37.08 80.96 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.887 -1.153 . . . . 1.0 107.887 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.19 -47.87 28.12 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.176 -1.57 . . . . 1.0 109.176 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -59.33 -35.29 73.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -1.196 . . . . 1.0 109.222 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.1 t -68.68 -35.0 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.0 109.181 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 602' ' ' LEU . 6.2 tt -55.27 -36.36 66.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.485 -0.759 . . . . 1.0 109.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 1.0 109.649 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.236 0.541 . . . . 1.0 109.95 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.45 -24.48 20.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 1.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -66.31 -46.95 75.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.186 -0.946 . . . . 1.0 109.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.2 -37.22 69.35 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.262 -0.899 . . . . 1.0 109.502 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.34 -35.7 79.93 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.294 -0.879 . . . . 1.0 109.651 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -60.04 -36.22 76.82 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.35 -41.47 73.13 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.78 -48.76 52.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 1.0 108.918 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.24 -31.9 43.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.209 -0.932 . . . . 1.0 108.505 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.85 -46.29 58.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.41 -38.39 87.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.168 -0.958 . . . . 1.0 109.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.622 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -56.17 -33.68 65.47 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -76.17 -28.95 57.53 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.786 -1.196 . . . . 1.0 109.54 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.5 70.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.204 -0.935 . . . . 1.0 111.27 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -58.31 -52.49 74.22 Favored Pre-proline 0 N--CA 1.497 1.919 0 O-C-N 120.867 -1.146 . . . . 1.0 112.117 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.622 ' CD ' ' O ' ' A' ' 681' ' ' SER . 21.6 Cg_endo -62.34 -42.29 28.95 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.813 1.675 . . . . 1.0 113.044 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.84 -42.15 81.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.722 -1.237 . . . . 1.0 108.48 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -75.11 -32.95 61.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.445 -0.785 . . . . 1.0 109.213 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -60.66 -38.77 85.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.121 -0.987 . . . . 1.0 108.766 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -67.06 -36.87 82.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.0 108.796 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.65 -44.44 93.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.16 -35.18 73.06 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.436 -0.95 . . . . 1.0 108.436 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.14 73.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.442 -0.786 . . . . 1.0 109.102 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.3 t -69.84 -40.38 75.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 1.0 109.609 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.58 ' CE2' ' NZ ' ' A' ' 638' ' ' LYS . 3.1 m-85 -61.91 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 1.0 108.89 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.0 mp -64.43 -35.38 80.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.297 -0.877 . . . . 1.0 109.01 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -69.29 -44.44 71.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 1.0 110.34 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.22 -25.67 60.41 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.653 -1.379 . . . . 1.0 109.653 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.572 HD21 HD12 ' A' ' 639' ' ' LEU . 29.0 p30 -120.19 2.71 10.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.318 -1.107 . . . . 1.0 109.646 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.76 -39.73 59.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 1.0 109.903 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 700' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 704' ' ' ARG . 67.0 m -52.42 -34.38 48.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.078 -1.014 . . . . 1.0 108.82 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.3 mp -87.58 -41.16 13.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.418 -0.801 . . . . 1.0 110.273 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.505 HD11 ' OD1' ' A' ' 698' ' ' ASN . 70.6 mt -55.54 -34.65 64.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.847 -1.158 . . . . 1.0 109.131 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 44.5 m-85 -104.89 -97.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 1.0 109.71 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' A' ' 700' ' ' SER . 96.8 mtt180 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.098 -1.001 . . . . 1.0 110.218 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -55.79 -40.77 73.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.372 -0.83 . . . . 1.0 109.591 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.72 -43.66 88.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.269 -0.894 . . . . 1.0 110.051 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.13 -44.42 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 107.602 -1.259 . . . . 1.0 107.602 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -59.83 -40.68 89.31 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.753 -0.592 . . . . 1.0 109.744 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -38.96 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.788 -1.195 . . . . 1.0 108.714 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -70.61 -50.6 35.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.419 -0.801 . . . . 1.0 109.736 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.1 t -61.22 -42.8 99.24 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.848 -1.157 . . . . 1.0 109.694 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 560' ' ' THR . 6.3 tp -71.26 -37.84 71.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.016 -1.053 . . . . 1.0 109.309 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.578 ' O ' ' NE2' ' A' ' 566' ' ' GLN . . . -65.9 -41.33 91.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.485 -0.759 . . . . 1.0 109.89 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 564' ' ' LEU . 15.0 ptt180 -61.38 -32.05 71.96 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.065 -1.022 . . . . 1.0 108.69 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.5 mp -70.68 -37.96 73.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.496 -0.753 . . . . 1.0 109.953 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.66 -31.06 71.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.259 -0.901 . . . . 1.0 109.989 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 562' ' ' ALA . 1.8 mp0 -79.22 -47.77 15.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.031 -1.043 . . . . 1.0 108.283 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.19 -33.56 87.56 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.735 -1.346 . . . . 1.0 109.735 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 564' ' ' LEU . 74.9 t -70.48 -48.52 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -1.215 . . . . 1.0 108.94 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.8 m -66.03 -37.37 85.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.343 -0.848 . . . . 1.0 108.921 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 91.4 m -62.74 -42.68 99.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.608 -0.683 . . . . 1.0 110.594 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 567' ' ' GLY . 79.8 p -68.81 -35.18 76.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.05 -1.031 . . . . 1.0 110.228 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.52 HG13 ' OG ' ' A' ' 681' ' ' SER . 77.3 t -65.37 -35.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.016 -1.052 . . . . 1.0 108.929 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.56 94.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.188 -0.945 . . . . 1.0 108.994 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' HIS . . . . . 0.649 ' CD2' ' N ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -60.81 -47.39 86.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 1.0 109.393 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 2.2 tt -57.05 -46.97 82.02 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 1.0 109.623 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -31.0 67.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.0 109.369 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -71.77 -36.68 70.44 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.258 -0.901 . . . . 1.0 109.257 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.09 -45.39 63.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 1.0 109.608 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 575' ' ' LEU . 19.6 m . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 1.0 109.55 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 600' ' ' GLN . 9.6 p . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.177 0.513 . . . . 1.0 109.916 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLN . . . . . 0.571 ' N ' HG13 ' A' ' 599' ' ' VAL . 94.0 mt-30 -64.91 -44.94 87.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 1.0 109.252 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.31 -39.49 90.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.355 -0.841 . . . . 1.0 109.312 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.9 -42.2 58.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.822 . . . . 1.0 109.133 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -64.4 -38.0 89.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.448 -0.782 . . . . 1.0 109.403 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.13 72.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.394 -0.816 . . . . 1.0 109.596 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' ALA . . . . . 0.475 ' HB1' ' NE2' ' A' ' 574' ' ' HIS . . . -68.36 -47.8 66.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 1.0 110.01 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 607' ' ' ALA . 12.2 p -70.15 -36.87 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 1.0 109.502 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -62.13 -42.37 99.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 1.0 109.444 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.34 89.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 0.4 OUTLIER -60.76 -41.8 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.258 -0.901 . . . . 1.0 109.321 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.489 ' CE1' HG23 ' A' ' 654' ' ' VAL . 48.2 t60 -61.93 -31.61 71.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.233 -0.917 . . . . 1.0 109.405 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -65.16 -45.76 90.43 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 121.519 -0.738 . . . . 1.0 111.439 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.91 78.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.734 -1.45 . . . . 1.0 110.43 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.699 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.0 OUTLIER -72.64 -40.5 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.007 -1.058 . . . . 1.0 108.287 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -54.96 -37.42 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 1.0 108.866 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.64 -30.23 71.25 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.4 tp -70.64 -43.44 69.19 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.506 -0.924 . . . . 1.0 108.506 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -61.99 -39.42 92.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.809 -1.182 . . . . 1.0 107.809 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.49 -45.26 60.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -0.808 . . . . 1.0 109.358 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.497 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.4 m-30 -63.81 -46.48 84.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.157 -0.964 . . . . 1.0 108.799 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -67.35 -39.97 85.8 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.373 -0.973 . . . . 1.0 108.373 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 617' ' ' LEU . 0.0 OUTLIER -69.0 -39.64 79.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.658 -0.651 . . . . 1.0 109.76 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 24.1 t -55.86 -44.02 77.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.174 -0.954 . . . . 1.0 109.036 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.33 84.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -0.789 . . . . 1.0 109.533 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.09 -40.1 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.87 . . . . 1.0 109.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 1.0 109.826 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 697' ' ' GLY . 76.6 mt -59.26 -47.06 86.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 1.0 109.401 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -65.02 -43.54 92.15 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.85 78.06 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.86 84.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.461 -0.774 . . . . 1.0 109.399 178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -46.33 86.83 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 1.0 109.53 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.6 p -59.08 -40.94 86.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 1.0 109.872 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -46.49 90.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.295 -0.878 . . . . 1.0 109.917 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -67.52 -33.35 74.9 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.063 -1.023 . . . . 1.0 110.25 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -44.71 79.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.001 -1.062 . . . . 1.0 109.706 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.66 -31.63 72.54 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 1.0 109.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -63.99 -38.59 91.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.151 -1.055 . . . . 1.0 108.151 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.509 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.1 mtp -69.61 -37.45 76.86 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.481 -0.933 . . . . 1.0 108.481 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -59.63 -50.66 72.99 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.571 0.7 . . . . 1.0 109.381 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.41 -41.83 96.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.614 -0.679 . . . . 1.0 109.713 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.54 -36.86 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 1.0 109.585 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-30 -57.62 -50.92 71.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 1.0 109.873 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.54 -32.51 74.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 1.0 109.627 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' THR . . . . . 0.439 HG22 ' CD2' ' A' ' 656' ' ' HIS . 90.9 m -58.29 -40.83 83.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 1.0 109.186 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.4 -42.48 87.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.277 -0.889 . . . . 1.0 109.327 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 610' ' ' HIS . 87.8 t -62.14 -44.11 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.371 -0.831 . . . . 1.0 110.148 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 659' ' ' VAL . 74.8 t -65.43 -47.18 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 120.782 -1.199 . . . . 1.0 108.469 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' HIS . . . . . 0.439 ' CD2' HG22 ' A' ' 652' ' ' THR . 7.8 m-70 -58.73 -38.75 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.332 -0.988 . . . . 1.0 108.332 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.13 -45.12 26.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.0 109.545 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -56.07 -37.88 69.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -1.19 . . . . 1.0 109.468 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 655' ' ' VAL . 79.3 t -65.83 -36.66 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 1.0 109.249 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 660' ' ' LEU . 2.1 tt -58.84 -35.51 73.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.0 109.273 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.142 -0.974 . . . . 1.0 109.429 -179.697 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.257 0.551 . . . . 1.0 109.558 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.19 -24.85 63.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.878 . . . . 1.0 109.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -63.88 -49.26 73.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.282 -0.886 . . . . 1.0 109.619 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -56.99 -36.79 70.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 1.0 109.821 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 678' ' ' VAL . 84.9 mt -61.51 -34.76 76.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.163 -0.96 . . . . 1.0 109.308 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -60.72 -35.57 76.66 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.43 -1.322 . . . . 1.0 107.43 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -71.03 -43.03 68.73 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.5 -46.97 62.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.089 -1.007 . . . . 1.0 108.857 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 674' ' ' LEU . 75.0 t -56.82 -30.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.11 61.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 1.0 109.15 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 11.4 m -64.43 -39.48 93.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.258 -0.901 . . . . 1.0 109.26 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.34 -33.86 68.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.51 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -73.83 -27.17 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.701 -1.249 . . . . 1.0 109.613 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.93 76.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.504 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -60.69 -54.29 56.03 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.246 -0.909 . . . . 1.0 112.354 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.566 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_endo -62.49 -42.72 25.58 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 121.771 1.647 . . . . 1.0 112.985 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.18 -42.68 93.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.056 -1.027 . . . . 1.0 108.869 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -73.43 -35.2 65.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.422 -0.799 . . . . 1.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.14 97.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.871 -1.143 . . . . 1.0 109.019 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.17 -37.95 88.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.427 -0.796 . . . . 1.0 109.987 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.98 -41.87 97.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.107 -0.996 . . . . 1.0 109.971 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.75 -34.62 76.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.954 -1.091 . . . . 1.0 108.859 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.32 69.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.368 -0.832 . . . . 1.0 109.009 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 16.5 m -68.85 -41.18 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 1.0 109.334 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.3 m-30 -65.22 -33.01 74.98 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.43 -37.46 80.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.15 -1.056 . . . . 1.0 108.15 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -66.12 -46.76 76.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.515 -0.74 . . . . 1.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' GLY . . . . . 0.49 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -54.56 -28.43 45.14 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.045 -1.222 . . . . 1.0 110.045 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.8 OUTLIER -109.24 3.07 21.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.922 -1.34 . . . . 1.0 109.597 -179.455 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -59.91 -23.83 63.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.0 109.509 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 18.9 m -69.63 -50.09 47.6 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.125 -0.984 . . . . 1.0 109.325 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.5 tp -103.48 -8.08 20.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 110.591 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 698' ' ' ASN . 32.8 tp -74.08 -27.31 60.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.777 -1.202 . . . . 1.0 108.657 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' A' ' 704' ' ' ARG . 31.7 m-85 -128.88 -63.54 0.96 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.335 -0.853 . . . . 1.0 109.496 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.539 ' C ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.239 -0.913 . . . . 1.0 109.303 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 . . . . . 0 N--CA 1.496 1.848 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.906 HD13 ' HB1' ' A' ' 699' ' ' ALA . 21.3 tp -57.41 -38.02 73.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.903 . . . . 1.0 109.122 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.39 -42.56 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.495 -0.753 . . . . 1.0 110.015 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.94 -44.81 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.723 -1.235 . . . . 1.0 107.892 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -62.2 -42.24 99.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.04 -0.726 . . . . 1.0 109.04 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.66 -42.44 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.069 -1.02 . . . . 1.0 108.985 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.65 -49.05 57.45 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.298 -0.876 . . . . 1.0 109.149 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 564' ' ' LEU . 32.3 m -59.71 -46.11 90.07 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.09 -1.006 . . . . 1.0 110.171 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.9 tm? -57.09 -48.77 77.8 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.067 -1.021 . . . . 1.0 110.034 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.402 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.18 -44.3 95.16 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.258 -0.901 . . . . 1.0 109.845 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.4 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 19.6 mtp-105 -68.64 -38.02 80.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.131 -0.981 . . . . 1.0 109.463 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.3 mp -71.05 -37.76 72.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.849 . . . . 1.0 109.175 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -62.52 -31.45 72.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 1.0 110.114 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -78.37 -44.15 25.75 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.144 -0.973 . . . . 1.0 108.787 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.782 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.5 -32.0 82.76 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.411 -1.475 . . . . 1.0 109.411 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 564' ' ' LEU . 92.3 t -72.11 -50.14 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.104 -1.233 . . . . 1.0 108.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.7 t -67.62 -38.94 84.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.278 -0.889 . . . . 1.0 108.963 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 93.6 m -62.48 -43.98 97.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.453 -0.78 . . . . 1.0 110.117 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 567' ' ' GLY . 67.4 p -68.31 -32.85 73.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.0 109.832 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 568' ' ' VAL . 70.1 t -62.8 -39.47 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.922 . . . . 1.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.42 81.45 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.052 -1.03 . . . . 1.0 108.303 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -58.85 -49.02 79.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.615 -0.678 . . . . 1.0 109.53 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 579' ' ' VAL . 60.8 tp -56.77 -45.53 82.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.408 -0.808 . . . . 1.0 109.505 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.55 -41.12 69.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 1.0 109.295 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -57.7 -41.32 81.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.268 -0.895 . . . . 1.0 108.894 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.12 -37.23 85.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.387 -0.821 . . . . 1.0 109.303 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 575' ' ' LEU . 72.0 t . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.28 -0.888 . . . . 1.0 109.424 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 80.4 t . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.16 0.505 . . . . 1.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -54.45 -48.28 71.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 1.0 109.338 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -58.56 -32.71 69.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 1.0 109.445 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.51 -39.92 51.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.288 -0.882 . . . . 1.0 109.317 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -60.68 -37.66 82.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.459 -0.776 . . . . 1.0 109.68 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.41 76.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 1.0 110.091 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.3 63.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.225 -0.922 . . . . 1.0 110.227 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 610' ' ' HIS . 4.4 p -70.05 -37.77 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.97 -1.081 . . . . 1.0 109.737 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -63.38 -41.87 98.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 1.0 110.091 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.26 95.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 1.0 110.073 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.2 -45.77 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.99 -1.069 . . . . 1.0 109.146 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.728 ' CD2' HG22 ' A' ' 606' ' ' VAL . 15.6 m-70 -60.79 -37.28 81.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 1.0 109.302 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -68.15 -45.87 68.67 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 110.128 -1.189 . . . . 1.0 110.128 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.22 82.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.063 -1.257 . . . . 1.0 109.69 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CZ ' ' A' ' 650' ' ' TYR . 45.5 t -67.26 -44.25 87.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.129 -0.982 . . . . 1.0 108.75 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -53.99 -35.96 62.4 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.507 -0.923 . . . . 1.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.72 -35.67 73.04 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.69 -34.55 74.1 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.717 -0.846 . . . . 1.0 108.717 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 646' ' ' MET . 83.0 mt -75.2 -46.36 34.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.776 -0.578 . . . . 1.0 111.003 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -72.48 -46.76 53.3 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.74 -1.225 . . . . 1.0 110.95 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.738 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -68.15 -41.24 81.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.78 -1.2 . . . . 1.0 109.027 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.738 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.68 -40.27 95.1 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -58.6 -37.35 75.64 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.368 -0.975 . . . . 1.0 108.368 178.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 25.0 p -60.66 -37.67 82.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.541 -0.911 . . . . 1.0 108.541 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.32 91.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.39 -0.819 . . . . 1.0 109.192 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.02 -42.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 1.0 109.078 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.292 -0.88 . . . . 1.0 109.77 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.038 0.446 . . . . 1.0 110.084 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.39 -44.52 80.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.122 -0.986 . . . . 1.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.79 -46.07 91.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.056 -1.028 . . . . 1.0 108.385 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.08 77.62 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.17 91.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.6 -0.688 . . . . 1.0 109.828 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.552 HD22 HD21 ' A' ' 698' ' ' ASN . 37.8 tp -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 1.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.0 m -64.94 -41.19 95.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.247 -0.908 . . . . 1.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 641' ' ' ARG . 0.2 OUTLIER -61.97 -46.02 91.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.807 -1.183 . . . . 1.0 110.256 -179.096 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.521 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 89.6 mt-30 -76.59 -38.58 54.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.029 -1.044 . . . . 1.0 110.217 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.35 -48.28 65.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.012 -1.055 . . . . 1.0 110.036 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.21 -34.99 78.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 1.0 109.293 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 649' ' ' VAL . 13.4 ttpt -61.59 -36.65 81.28 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.591 -1.262 . . . . 1.0 107.591 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.491 ' CE ' HD21 ' A' ' 617' ' ' LEU . 0.6 OUTLIER -68.88 -32.45 72.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.375 -0.972 . . . . 1.0 108.375 179.263 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -74.42 -44.59 51.21 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.592 0.71 . . . . 1.0 109.224 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 648' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 652' ' ' THR . 42.0 t0 -60.87 -43.27 98.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 650' ' ' TYR . 31.2 m -67.95 -43.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.317 -0.864 . . . . 1.0 109.822 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.723 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.1 OUTLIER -61.16 -35.53 77.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.925 -1.11 . . . . 1.0 109.937 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.54 -33.62 71.35 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.911 -1.118 . . . . 1.0 109.424 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 648' ' ' ASP . 71.6 p -73.16 -35.76 66.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 1.0 109.058 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.55 -34.51 72.32 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.393 -0.817 . . . . 1.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.2 t -60.57 -44.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.18 -0.95 . . . . 1.0 109.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 t -68.7 -43.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.923 -1.111 . . . . 1.0 108.722 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.59 -40.98 98.35 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.87 -38.71 40.88 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 7.1 mm-40 -55.82 -29.41 59.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.599 -1.53 . . . . 1.0 109.407 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.9 t -63.11 -39.49 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.308 -0.87 . . . . 1.0 109.639 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.25 -36.54 73.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.134 -0.979 . . . . 1.0 109.721 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.229 -0.92 . . . . 1.0 109.655 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 670' ' ' THR . . . . . 0.733 HG23 ' H ' ' A' ' 672' ' ' ASP . 12.4 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.377 0.608 . . . . 1.0 110.2 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 88.4 mt -51.98 -24.21 6.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 1.0 109.62 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' ASP . . . . . 0.733 ' H ' HG23 ' A' ' 670' ' ' THR . 20.0 t70 -67.99 -46.09 72.3 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.304 -0.872 . . . . 1.0 108.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.1 -36.02 72.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.58 -0.7 . . . . 1.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 674' ' ' LEU . 4.2 mm? -64.37 -34.41 78.1 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.328 -0.858 . . . . 1.0 108.975 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.79 -34.65 74.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.906 -1.516 . . . . 1.0 106.906 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -71.59 -43.23 66.63 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.06 -46.69 61.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 1.0 108.561 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.97 -32.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.52 68.05 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.7 m -65.95 -35.65 81.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.284 -0.885 . . . . 1.0 109.189 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.641 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -59.22 -35.52 73.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.848 . . . . 1.0 110.546 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -77.77 -29.24 50.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.773 -1.205 . . . . 1.0 110.221 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.7 -47.34 63.54 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.04 -1.037 . . . . 1.0 111.527 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -57.54 -51.82 78.9 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 120.932 -1.105 . . . . 1.0 112.43 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.641 ' CD ' ' O ' ' A' ' 681' ' ' SER . 14.8 Cg_endo -59.12 -42.53 50.04 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 121.834 1.689 . . . . 1.0 112.634 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -74.9 -29.5 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.748 . . . . 1.0 109.137 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.01 90.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 1.0 108.765 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -64.67 -42.77 95.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.465 -0.772 . . . . 1.0 109.149 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -67.6 -40.65 84.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.9 . . . . 1.0 108.811 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.23 -36.52 77.9 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.676 -0.861 . . . . 1.0 108.676 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.515 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.19 -37.61 77.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 1.0 109.514 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 27.6 t -64.98 -37.72 88.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.958 . . . . 1.0 109.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.552 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.7 m-85 -66.25 -39.06 89.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 1.0 109.23 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -60.82 -37.8 83.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.092 -1.005 . . . . 1.0 108.696 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 50.5 m80 -66.08 -44.08 85.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 1.0 110.501 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -61.89 -24.6 64.86 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.924 -1.27 . . . . 1.0 109.924 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.552 HD21 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -116.38 4.77 13.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -1.181 . . . . 1.0 109.702 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.906 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -50.75 -39.29 51.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.122 -0.986 . . . . 1.0 109.162 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.0 t -50.79 -38.53 48.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.396 -0.815 . . . . 1.0 110.417 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 701' ' ' LEU . 28.6 tp -89.57 -41.95 11.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.953 -1.092 . . . . 1.0 111.105 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 59.5 mt -52.84 -34.08 52.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.669 -1.27 . . . . 1.0 108.253 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 4.7 m-85 -123.57 -72.8 0.66 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.503 -0.748 . . . . 1.0 109.272 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 29.0 ttt-85 . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.05 . . . . 1.0 109.789 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 49.2 mp0 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.58 -36.59 71.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.267 -0.896 . . . . 1.0 110.178 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.11 -39.55 92.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.986 -1.072 . . . . 1.0 110.395 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.48 -43.9 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 1.0 107.72 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.99 97.89 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.321 -0.992 . . . . 1.0 108.321 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.4 -42.1 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.46 -0.775 . . . . 1.0 109.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.4 -49.22 44.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 1.0 109.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 23.9 m -60.9 -43.47 98.46 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.123 -0.986 . . . . 1.0 109.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.6 tm? -56.01 -48.91 75.04 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.055 -1.028 . . . . 1.0 108.591 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.43 -45.98 91.67 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.534 -0.729 . . . . 1.0 109.074 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -62.56 -37.65 86.99 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.36 -0.838 . . . . 1.0 108.926 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 616' ' ' LEU . 3.3 mp -68.51 -38.2 80.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.503 -0.748 . . . . 1.0 109.664 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' GLN . . . . . 0.434 ' NE2' HD11 ' A' ' 561' ' ' LEU . 52.3 mt-30 -64.07 -28.4 69.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 1.0 110.026 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.49 -47.67 16.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.125 -0.984 . . . . 1.0 108.727 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.692 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.28 -34.06 88.93 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.426 -1.47 . . . . 1.0 109.426 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 564' ' ' LEU . 77.2 t -72.19 -49.73 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -1.19 . . . . 1.0 108.674 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 26.5 t -66.17 -40.48 90.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0 109.084 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 65.9 m -63.24 -42.51 99.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.495 -0.753 . . . . 1.0 110.28 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 567' ' ' GLY . 41.1 p -68.2 -37.7 81.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.15 -0.969 . . . . 1.0 109.663 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.419 HG13 ' OG ' ' A' ' 681' ' ' SER . 42.7 t -70.21 -40.76 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.862 . . . . 1.0 109.144 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.94 84.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 1.0 109.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' HIS . . . . . 0.77 ' NE2' HD11 ' A' ' 578' ' ' LEU . 36.3 t60 -58.9 -51.76 68.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 1.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.48 -45.7 84.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 1.0 109.657 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.65 -29.61 70.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0 109.487 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.2 -35.43 71.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.171 -0.956 . . . . 1.0 109.306 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.77 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.73 -35.24 79.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 1.0 109.744 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.094 -1.004 . . . . 1.0 109.645 -179.75 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.212 0.53 . . . . 1.0 109.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -57.29 -43.44 83.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.275 -0.89 . . . . 1.0 108.991 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -60.32 -42.85 96.46 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.422 -0.799 . . . . 1.0 109.264 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 -41.71 43.32 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.382 -0.824 . . . . 1.0 109.421 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -59.86 -39.73 86.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -0.864 . . . . 1.0 109.701 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.15 69.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.223 -0.923 . . . . 1.0 109.769 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.33 70.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 1.0 110.08 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.462 HG21 ' HA3' ' A' ' 657' ' ' GLY . 9.7 p -69.5 -36.06 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.972 -1.08 . . . . 1.0 109.723 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.88 77.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.962 . . . . 1.0 109.957 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.6 -50.71 41.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.0 110.103 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.566 HG23 ' OG1' ' A' ' 571' ' ' THR . 1.2 p -60.2 -41.13 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 1.0 109.382 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 9.0 m80 -61.23 -38.08 85.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 1.0 109.39 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -72.42 -43.65 44.74 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.591 -1.404 . . . . 1.0 109.591 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.42 73.44 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.074 -1.251 . . . . 1.0 109.307 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.809 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.6 p -67.01 -45.38 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 1.0 109.001 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' HIS . . . . . 0.579 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 83.3 t60 -53.79 -30.76 46.23 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 1.0 108.693 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -27.05 64.45 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.9 tt -70.56 -33.01 70.64 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.597 -1.26 . . . . 1.0 107.597 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.9 OUTLIER -77.08 -37.82 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -72.16 -50.63 26.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.156 -0.965 . . . . 1.0 109.796 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.732 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -65.45 -39.69 92.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 1.0 109.297 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.732 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.47 -39.42 91.96 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.572 -1.27 . . . . 1.0 107.572 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -35.87 78.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.3 t -59.42 -38.82 81.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 108.998 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 1.0 110.112 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.74 -39.27 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.354 -0.841 . . . . 1.0 109.969 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.909 -1.119 . . . . 1.0 109.184 -179.778 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.583 HD22 ' OD1' ' A' ' 698' ' ' ASN . 11.8 mt -57.83 -45.63 85.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 1.0 109.566 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -63.84 -42.92 97.49 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.32 76.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.745 -0.835 . . . . 1.0 108.745 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -47.05 79.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.427 -0.796 . . . . 1.0 109.554 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.03 -46.88 79.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.246 -0.909 . . . . 1.0 109.605 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 94.9 p -63.74 -36.09 82.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.23 -0.919 . . . . 1.0 109.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.56 -47.45 85.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.272 -0.893 . . . . 1.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 90.5 mt-30 -71.88 -41.6 67.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.295 -0.878 . . . . 1.0 110.014 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 643' ' ' LEU . 3.3 tt -54.14 -48.27 71.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.259 -0.901 . . . . 1.0 109.816 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -60.04 -32.2 70.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.961 . . . . 1.0 108.901 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttmt -62.46 -36.85 83.75 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 44.8 mmm -69.83 -38.27 76.47 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.478 ' OE2' HD23 ' A' ' 617' ' ' LEU . 62.6 mm-40 -60.74 -50.14 74.67 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 1.0 108.739 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.69 -42.44 86.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.766 -0.584 . . . . 1.0 109.812 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 645' ' ' LYS . 74.7 t -70.06 -40.03 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 1.0 110.068 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -58.17 -41.59 84.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 1.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.72 -32.05 72.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.094 -1.004 . . . . 1.0 109.332 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 59.4 m -57.8 -41.91 83.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.25 -38.67 85.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.344 -0.848 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.87 -43.73 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.075 -1.016 . . . . 1.0 109.195 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.44 -47.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -38.34 78.22 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.462 ' HA3' HG21 ' A' ' 606' ' ' VAL . . . -73.5 -47.24 22.46 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.429 -1.468 . . . . 1.0 109.429 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -57.0 -37.41 71.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.165 -1.197 . . . . 1.0 109.64 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.35 -31.35 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 1.0 109.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.78 -31.75 62.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 1.0 109.373 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.0 109.574 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.452 0.644 . . . . 1.0 110.12 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 671' ' ' LEU . . . . . 0.812 ' H ' HD23 ' A' ' 671' ' ' LEU . 0.1 OUTLIER -55.26 -24.11 26.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 1.0 109.783 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -62.42 -47.79 82.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.225 -0.922 . . . . 1.0 109.128 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.59 -34.17 66.92 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.327 -0.858 . . . . 1.0 109.394 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.6 -39.45 88.18 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.139 -0.976 . . . . 1.0 109.392 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.67 -35.92 77.44 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.276 -1.379 . . . . 1.0 107.276 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.33 -38.51 63.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 677' ' ' LEU . 2.9 tm? -69.12 -49.86 53.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 1.0 108.476 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 678' ' ' VAL . . . . . 0.407 ' N ' HD13 ' A' ' 677' ' ' LEU . 53.9 t -55.56 -30.88 27.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 107.962 -1.125 . . . . 1.0 107.962 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.7 65.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.533 -0.729 . . . . 1.0 109.16 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 56.6 m -63.56 -40.44 97.01 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.151 -0.968 . . . . 1.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.595 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 8.4 t -57.35 -33.24 67.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.34 -0.85 . . . . 1.0 111.297 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -28.26 60.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.287 -1.508 . . . . 1.0 110.128 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.61 -39.07 74.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 1.0 111.242 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -60.91 -53.07 67.64 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.019 -1.051 . . . . 1.0 111.991 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.595 ' CD ' ' O ' ' A' ' 681' ' ' SER . 20.1 Cg_endo -61.78 -42.9 28.79 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.95 1.766 . . . . 1.0 112.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.86 -43.09 80.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.0 108.624 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' ASP . . . . . 0.476 ' OD2' ' SD ' ' A' ' 646' ' ' MET . 51.4 t0 -72.3 -34.8 68.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 1.0 109.641 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.47 93.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.125 -0.984 . . . . 1.0 108.728 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -66.89 -41.48 87.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.559 -0.713 . . . . 1.0 109.383 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.76 -43.3 84.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.269 -0.894 . . . . 1.0 108.822 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.04 -33.21 68.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -66.85 -32.11 73.16 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 29.0 m -67.23 -42.19 84.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -0.829 . . . . 1.0 109.311 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.0 m-85 -65.1 -37.8 88.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 1.0 108.852 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 699' ' ' ALA . 12.4 mt -64.02 -36.44 84.01 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.201 -0.937 . . . . 1.0 108.539 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -68.86 -48.64 62.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.564 -0.71 . . . . 1.0 110.189 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -57.17 -25.43 54.14 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.898 -1.281 . . . . 1.0 109.898 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.583 ' OD1' HD22 ' A' ' 635' ' ' LEU . 0.4 OUTLIER -118.1 2.21 12.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -1.186 . . . . 1.0 109.502 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -53.53 -36.07 61.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 1.0 109.756 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 90.4 p -50.92 -35.92 35.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 1.0 109.772 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.2 mp -87.23 -43.12 12.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.077 -1.014 . . . . 1.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.14 -36.45 40.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.951 -1.093 . . . . 1.0 108.93 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.3 m-85 -118.32 -70.8 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 32.5 ttt180 . . . . . 0 N--CA 1.485 1.317 0 O-C-N 121.651 -0.656 . . . . 1.0 109.454 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.914 -0.773 . . . . 1.0 108.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 554' ' ' LEU . 6.3 mp -56.33 -41.45 76.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.344 -0.848 . . . . 1.0 110.465 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.65 -44.88 96.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.115 -0.99 . . . . 1.0 110.702 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 99.6 t -65.73 -45.47 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.787 -1.196 . . . . 1.0 107.955 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -63.93 -40.66 96.97 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.576 -0.702 . . . . 1.0 109.32 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.44 -43.71 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 1.0 109.239 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.56 -48.69 46.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.181 -0.949 . . . . 1.0 109.354 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.8 m -59.98 -42.69 94.73 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.062 -1.024 . . . . 1.0 110.336 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 561' ' ' LEU . 7.7 tt -58.67 -48.37 81.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.957 -1.089 . . . . 1.0 109.985 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.6 83.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 1.0 110.638 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -61.44 -40.72 95.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 1.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 615' ' ' GLU . 3.9 mp -72.05 -37.66 69.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.075 -1.016 . . . . 1.0 109.302 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -30.27 70.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.428 -0.795 . . . . 1.0 110.808 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -77.53 -41.44 39.17 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.865 -1.147 . . . . 1.0 109.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 571' ' ' THR . . . -58.77 -33.4 72.79 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.167 -1.573 . . . . 1.0 109.167 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 572' ' ' VAL . 92.5 t -70.07 -48.58 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.101 -1.235 . . . . 1.0 108.726 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.5 p -66.02 -42.89 89.07 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.368 -0.833 . . . . 1.0 109.028 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.1 m -62.27 -42.48 99.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.445 -0.784 . . . . 1.0 110.207 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 567' ' ' GLY . 51.6 p -68.04 -33.28 74.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.074 -1.016 . . . . 1.0 109.75 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.751 HG13 ' OG ' ' A' ' 681' ' ' SER . 68.8 t -66.1 -38.53 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.162 -0.962 . . . . 1.0 109.247 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.53 91.82 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.164 -0.96 . . . . 1.0 108.467 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -58.81 -50.66 73.13 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.703 -0.623 . . . . 1.0 109.594 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 575' ' ' LEU . 6.7 tt -57.89 -48.97 78.29 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.432 -0.792 . . . . 1.0 109.663 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.79 -41.02 72.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 1.0 109.62 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.71 -41.6 95.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 1.0 109.524 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.07 -42.7 84.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 1.0 109.665 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 1.0 109.491 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.234 0.54 . . . . 1.0 109.665 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -58.76 -44.7 90.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.189 -0.944 . . . . 1.0 109.459 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.25 -45.72 92.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.316 -0.865 . . . . 1.0 109.121 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.16 -43.25 58.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.416 -0.803 . . . . 1.0 109.008 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 603' ' ' LYS . . . . . 0.437 ' NZ ' ' OD2' ' A' ' 661' ' ' ASP . 72.8 tttt -61.1 -38.53 86.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.384 -0.823 . . . . 1.0 109.443 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.76 76.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 1.0 109.843 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.19 80.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.0 110.258 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.52 HG22 ' CD2' ' A' ' 610' ' ' HIS . 8.0 p -70.09 -36.49 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 1.0 109.843 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -65.96 -33.57 76.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.157 -0.965 . . . . 1.0 109.742 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.46 -51.4 43.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 1.0 110.342 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.436 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.7 OUTLIER -59.53 -38.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 1.0 109.713 -179.139 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 6.4 m-70 -65.45 -30.08 70.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 1.0 109.133 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -75.55 -46.01 16.24 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 110.078 -1.209 . . . . 1.0 110.078 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.67 74.33 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.951 -1.323 . . . . 1.0 109.554 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.726 HG22 ' CE2' ' A' ' 650' ' ' TYR . 3.0 p -63.93 -43.58 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.0 109.189 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 614' ' ' HIS . . . . . 0.551 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 13.7 m80 -55.33 -30.39 60.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.926 . . . . 1.0 108.933 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 564' ' ' LEU . 73.5 mm-40 -63.91 -33.62 76.12 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.918 -1.142 . . . . 1.0 107.918 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -41.36 71.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.782 HD21 ' CD ' ' A' ' 647' ' ' GLU . 28.7 tp -76.99 -37.91 54.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.933 -0.479 . . . . 1.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.12 -46.57 56.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.88 -1.137 . . . . 1.0 111.706 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.3 OUTLIER -65.25 -45.3 85.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.481 -1.387 . . . . 1.0 108.959 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.669 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.305 -0.872 . . . . 1.0 109.814 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -63.19 -35.86 81.72 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.57 -1.331 . . . . 1.0 108.362 178.786 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 29.3 p -60.09 -33.41 72.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.693 -1.225 . . . . 1.0 107.693 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 620' ' ' ALA . . . -63.86 -36.55 84.28 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.168 -0.679 . . . . 1.0 109.168 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.73 -41.76 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.0 109.628 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.084 0.468 . . . . 1.0 109.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.786 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -59.44 -49.38 78.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.875 . . . . 1.0 109.649 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 636' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 640' ' ' SER . 39.2 t-80 -59.26 -38.18 79.44 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 637' ' ' ALA . . . . . 0.901 ' HB1' HH21 ' A' ' 641' ' ' ARG . . . -66.11 -51.29 59.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.431 -0.951 . . . . 1.0 108.431 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -60.5 -39.57 88.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.507 -0.745 . . . . 1.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 639' ' ' LEU . 1.8 tt -79.04 -46.21 18.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 1.0 109.649 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 636' ' ' HIS . 66.3 m -58.9 -46.46 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 1.0 109.796 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 641' ' ' ARG . . . . . 0.901 HH21 ' HB1' ' A' ' 637' ' ' ALA . 19.5 ptp180 -64.37 -41.67 96.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.282 -0.886 . . . . 1.0 110.378 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.657 ' NE2' ' CD2' ' A' ' 694' ' ' PHE . 7.5 tt0 -73.97 -30.43 62.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 1.0 109.981 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.01 -50.62 47.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.374 -0.829 . . . . 1.0 110.25 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.48 -38.31 90.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.205 -0.934 . . . . 1.0 109.276 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.97 -36.23 83.73 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.91 -1.145 . . . . 1.0 107.91 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.757 ' SD ' HD12 ' A' ' 691' ' ' LEU . 2.2 ttm -68.11 -38.78 82.64 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.782 ' CD ' HD21 ' A' ' 617' ' ' LEU . 61.9 mm-40 -60.88 -51.44 69.27 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.718 0.77 . . . . 1.0 109.064 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -57.73 -39.83 78.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.586 -0.696 . . . . 1.0 109.646 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 645' ' ' LYS . 78.0 t -71.61 -42.97 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.42 -0.8 . . . . 1.0 110.33 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.726 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.1 m-85 -58.22 -41.74 84.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.93 -1.106 . . . . 1.0 109.943 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.08 -32.7 70.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 1.0 109.104 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 71.2 m -58.6 -42.04 87.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.603 HD22 ' SG ' ' A' ' 680' ' ' CYS . 63.3 mt -66.52 -35.8 81.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.383 -0.823 . . . . 1.0 109.546 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 658' ' ' GLN . 91.6 t -60.61 -43.82 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.228 -0.92 . . . . 1.0 109.385 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.81 -46.1 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 1.0 108.474 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.58 -38.5 87.77 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 107.758 -1.201 . . . . 1.0 107.758 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.42 -39.0 43.79 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.5 mm-40 -54.49 -27.01 34.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -1.198 . . . . 1.0 109.615 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 65.1 t -62.16 -38.83 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 1.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.464 HD11 HD12 ' A' ' 677' ' ' LEU . 9.6 mt -71.32 70.8 0.61 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.31 -0.868 . . . . 1.0 108.989 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 661' ' ' ASP . . . . . 0.437 ' OD2' ' NZ ' ' A' ' 603' ' ' LYS . 55.4 t0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.555 -0.716 . . . . 1.0 109.477 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 672' ' ' ASP . 9.5 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.08 -25.22 20.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 1.0 109.327 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' ASP . . . . . 0.867 ' H ' HG23 ' A' ' 670' ' ' THR . 55.2 t0 -68.15 -45.55 73.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.249 -0.907 . . . . 1.0 109.264 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.7 -36.64 69.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.924 . . . . 1.0 109.417 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.74 -35.38 80.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 1.0 109.043 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.66 -37.86 79.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -70.74 -39.2 73.46 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.135 -0.691 . . . . 1.0 109.135 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.7 tt -70.52 -48.14 57.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.119 -0.988 . . . . 1.0 108.494 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.04 -31.69 31.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.617 -1.253 . . . . 1.0 107.617 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.86 79.92 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.603 ' SG ' HD22 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -63.29 -41.45 98.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.572 -0.705 . . . . 1.0 109.455 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.751 ' OG ' HG13 ' A' ' 572' ' ' VAL . 12.9 t -57.05 -33.89 67.69 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.392 -0.818 . . . . 1.0 111.244 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -76.75 -30.86 56.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.346 -1.471 . . . . 1.0 109.888 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.37 67.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 1.0 111.492 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.453 HG23 HD11 ' A' ' 653' ' ' LEU . 1.0 OUTLIER -61.83 -49.29 86.56 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 120.838 -1.164 . . . . 1.0 112.208 -176.357 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.646 ' HG3' HG21 ' A' ' 572' ' ' VAL . 16.9 Cg_exo -63.12 -43.38 19.21 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 121.887 1.725 . . . . 1.0 112.205 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 -41.52 84.24 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.188 -0.945 . . . . 1.0 108.665 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.95 -38.7 61.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.584 -0.698 . . . . 1.0 109.858 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.92 99.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.132 -0.98 . . . . 1.0 108.822 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.77 -36.03 82.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.445 -0.784 . . . . 1.0 109.067 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -64.38 -44.31 91.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.331 -0.856 . . . . 1.0 109.01 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 691' ' ' LEU . . . . . 0.757 HD12 ' SD ' ' A' ' 646' ' ' MET . 1.4 tt -61.39 -35.96 78.94 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 561' ' ' LEU . . . -57.66 -35.87 71.14 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.287 -0.883 . . . . 1.0 108.875 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 67.8 p -70.03 -38.35 75.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 1.0 109.617 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.657 ' CD2' ' NE2' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.48 -39.46 91.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 1.0 108.703 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.599 ' O ' ' N ' ' A' ' 699' ' ' ALA . 0.9 OUTLIER -63.4 -36.33 83.36 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.353 -0.842 . . . . 1.0 108.766 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -70.78 -50.11 39.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.406 -0.809 . . . . 1.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.52 -24.04 59.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.213 -1.555 . . . . 1.0 109.213 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -113.44 -2.22 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -1.033 . . . . 1.0 109.549 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.28 -39.18 56.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 1.0 109.587 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 700' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 704' ' ' ARG . 85.6 p -51.6 -37.52 50.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 1.0 109.314 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.23 -41.9 13.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.137 -0.977 . . . . 1.0 110.474 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 639' ' ' LEU . 49.9 mt -56.79 -32.77 66.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.732 -1.23 . . . . 1.0 108.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 8.7 m-85 -120.84 -79.91 0.61 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.447 -0.783 . . . . 1.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 700' ' ' SER . 58.2 ttm-85 . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.775 -1.203 . . . . 1.0 110.022 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.525 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.7 tp -58.15 -42.19 85.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.571 -0.706 . . . . 1.0 109.61 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.5 tt0 -64.8 -47.27 78.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.384 -0.823 . . . . 1.0 109.666 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.96 -45.32 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.451 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -57.22 -36.48 70.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.705 -0.622 . . . . 1.0 109.335 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -44.67 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.952 -1.093 . . . . 1.0 109.319 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 70.3 mm-40 -68.18 -51.04 50.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.23 -0.919 . . . . 1.0 109.48 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.541 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.0 t -59.7 -45.29 92.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 1.0 109.803 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 560' ' ' THR . 7.9 tp -65.98 -35.31 80.24 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.061 -1.024 . . . . 1.0 108.809 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.15 89.75 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.462 -0.774 . . . . 1.0 109.098 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.26 -31.35 69.02 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.895 . . . . 1.0 109.176 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 568' ' ' VAL . 9.4 mp -76.06 -37.91 57.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.837 . . . . 1.0 109.663 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -58.5 -36.68 74.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 1.0 109.457 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 567' ' ' GLY . 12.8 pt20 -79.98 -46.46 16.63 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.327 -0.858 . . . . 1.0 108.796 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.829 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.68 -34.01 88.79 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 564' ' ' LEU . 71.8 t -71.78 -48.49 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -1.222 . . . . 1.0 108.963 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.9 t -66.97 -38.81 86.77 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 1.0 108.721 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 99.7 m -61.82 -43.21 99.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.62 -0.675 . . . . 1.0 109.98 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 567' ' ' GLY . 82.8 p -67.63 -31.73 71.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 1.0 110.167 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.1 t -64.22 -37.93 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.941 -1.099 . . . . 1.0 109.368 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -62.89 -40.67 98.25 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.15 -51.36 69.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.62 -0.675 . . . . 1.0 109.409 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 8.1 tp -56.48 -46.16 80.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.59 -0.693 . . . . 1.0 109.302 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 572' ' ' VAL . 11.3 mt -69.35 -34.73 75.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.636 -0.665 . . . . 1.0 109.605 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 573' ' ' ALA . 23.1 t70 -64.71 -36.72 85.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.23 -0.919 . . . . 1.0 108.954 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.74 -36.96 83.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.479 -0.763 . . . . 1.0 109.445 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.137 -0.977 . . . . 1.0 109.598 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.227 0.537 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.83 -41.95 78.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 1.0 109.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.271 -0.893 . . . . 1.0 109.293 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 36.6 tp -70.15 -41.86 73.29 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.439 -0.788 . . . . 1.0 109.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.96 -34.64 72.01 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.0 109.696 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.08 73.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.376 -0.828 . . . . 1.0 109.918 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.02 65.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.133 -0.979 . . . . 1.0 110.172 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.624 HG22 ' CD2' ' A' ' 610' ' ' HIS . 12.7 p -70.06 -36.95 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 1.0 109.677 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -66.5 -31.32 71.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.956 . . . . 1.0 109.554 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.36 -52.24 35.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.199 -0.938 . . . . 1.0 110.033 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.614 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.89 -42.74 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.14 -0.975 . . . . 1.0 109.753 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.673 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 5.0 m-70 -64.83 -39.99 94.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.009 -1.057 . . . . 1.0 109.241 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.54 96.47 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.34 71.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.819 -1.401 . . . . 1.0 108.776 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 650' ' ' TYR . 99.1 t -64.52 -47.35 89.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -53.8 -34.93 60.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.42 -0.8 . . . . 1.0 108.898 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.5 -32.63 72.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.884 -1.135 . . . . 1.0 108.307 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -42.86 71.19 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -40.91 95.25 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.125 -0.984 . . . . 1.0 108.987 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.06 -45.33 50.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.447 -0.783 . . . . 1.0 109.865 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.13 -46.68 87.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 1.0 108.857 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.61 85.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.438 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.9 -42.9 89.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.661 -0.65 . . . . 1.0 109.527 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.5 t -58.15 -43.87 87.59 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 1.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.89 73.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 1.0 109.408 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.19 -42.98 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 1.0 109.641 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.94 . . . . 1.0 109.673 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.34 -45.1 88.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.0 109.293 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.19 -44.61 91.47 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.22 -46.95 75.94 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -44.66 79.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.52 -0.737 . . . . 1.0 109.457 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.55 -46.4 89.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.943 . . . . 1.0 109.526 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.8 t -61.52 -37.35 83.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 1.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -59.86 -46.43 89.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.295 -0.878 . . . . 1.0 110.63 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.53 HE22 ' HB2' ' A' ' 694' ' ' PHE . 7.7 pt20 -71.22 -26.45 62.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.925 -1.109 . . . . 1.0 109.889 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -45.41 43.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 1.0 110.08 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -64.63 -41.81 95.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 1.0 109.581 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -65.88 -31.12 71.87 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.185 -1.042 . . . . 1.0 108.185 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.537 ' HG3' HD11 ' A' ' 691' ' ' LEU . 0.0 OUTLIER -68.42 -36.52 79.2 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.713 -0.847 . . . . 1.0 108.713 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.6 -50.84 69.68 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.232 -1.025 . . . . 1.0 108.232 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.01 -44.76 72.12 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.967 -0.458 . . . . 1.0 109.925 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 18.6 t -66.0 -42.65 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.288 -0.882 . . . . 1.0 110.024 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.753 ' O ' HG23 ' A' ' 654' ' ' VAL . 40.8 t80 -61.47 -34.55 75.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.384 -0.823 . . . . 1.0 110.765 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -78.19 -30.93 49.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 1.0 109.865 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.0 m -57.88 -49.04 78.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.0 . . . . 1.0 109.321 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 650' ' ' TYR . 2.0 pp -70.58 -33.91 71.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 1.0 109.334 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 650' ' ' TYR . 84.8 t -59.85 -43.73 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.327 -0.858 . . . . 1.0 109.361 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -66.03 -39.22 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 1.0 108.394 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -64.61 -38.94 92.74 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.816 -1.179 . . . . 1.0 107.816 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.76 -48.53 16.7 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -56.42 -25.68 51.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -1.189 . . . . 1.0 109.536 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 655' ' ' VAL . 49.9 t -63.87 -36.03 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.227 -0.921 . . . . 1.0 109.674 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.7 pp -51.59 -28.87 15.34 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.296 -0.878 . . . . 1.0 109.489 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 1.0 109.478 179.732 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.212 0.529 . . . . 1.0 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.39 -24.2 18.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 1.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -65.93 -46.7 77.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -0.929 . . . . 1.0 109.142 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.38 -37.03 72.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.4 -0.813 . . . . 1.0 109.577 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.9 -37.9 88.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.21 -0.932 . . . . 1.0 109.437 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -59.06 -35.52 73.48 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -71.42 -41.97 68.88 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' ' 677' ' ' LEU . 6.3 tt -70.4 -49.3 50.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 1.0 108.401 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 678' ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' ' 674' ' ' LEU . 52.9 t -57.54 -31.52 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.058 -1.09 . . . . 1.0 108.058 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.88 -42.86 84.86 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.898 -0.779 . . . . 1.0 108.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.15 -36.43 83.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.264 -0.898 . . . . 1.0 109.359 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 15.6 t -56.71 -35.69 68.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.269 -0.894 . . . . 1.0 110.483 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -78.95 -34.97 43.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.748 -1.22 . . . . 1.0 109.878 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.28 64.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.922 . . . . 1.0 110.936 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 613' ' ' VAL . 2.5 t -57.39 -53.89 60.68 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.004 -1.06 . . . . 1.0 112.249 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 35.0 Cg_endo -65.51 -38.81 23.95 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 121.896 1.731 . . . . 1.0 112.788 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -60.01 -41.98 93.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.004 -1.06 . . . . 1.0 108.183 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -74.73 -32.04 62.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.524 -0.735 . . . . 1.0 109.278 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.46 91.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 1.0 108.493 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -65.99 -37.2 85.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.51 -0.744 . . . . 1.0 109.006 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -59.42 -42.01 90.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.326 -0.858 . . . . 1.0 108.79 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 691' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 695' ' ' LEU . 79.7 mt -58.2 -34.61 70.56 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.33 77.3 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.0 m -71.25 -45.69 62.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.318 -0.864 . . . . 1.0 109.302 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.53 ' HB2' HE22 ' A' ' 642' ' ' GLN . 2.9 m-85 -64.82 -36.83 85.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 1.0 108.796 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 691' ' ' LEU . 5.7 mp -60.72 -37.23 81.02 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -64.36 -47.22 80.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.567 -0.708 . . . . 1.0 109.496 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.83 -23.03 60.7 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.947 -1.661 . . . . 1.0 108.947 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.644 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.7 OUTLIER -107.5 -0.97 21.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.402 -1.058 . . . . 1.0 109.638 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -57.91 -26.99 62.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 1.0 109.368 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 700' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 704' ' ' ARG . 27.7 t -64.99 -50.52 65.99 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.2 -0.938 . . . . 1.0 109.571 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 -10.94 17.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.157 -0.965 . . . . 1.0 111.012 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 698' ' ' ASN . 58.3 tp -67.23 -29.94 69.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.634 -1.292 . . . . 1.0 108.511 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 557' ' ' ALA . 62.4 m-85 -118.06 -84.13 0.65 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -0.84 . . . . 1.0 109.531 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 700' ' ' SER . 76.6 mtp180 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.359 -0.838 . . . . 1.0 110.075 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -63.89 -34.31 77.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 1.0 109.721 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.1 mt-10 -65.1 -46.42 81.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 1.0 110.034 -178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.543 ' O ' ' OG1' ' A' ' 560' ' ' THR . 49.8 t -66.84 -47.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.782 -1.199 . . . . 1.0 107.847 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.62 -35.3 68.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.633 -0.667 . . . . 1.0 109.777 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.9 -43.85 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.786 -1.196 . . . . 1.0 109.389 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.4 OUTLIER -73.7 -44.73 55.69 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.243 -0.911 . . . . 1.0 109.916 -179.376 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.73 -47.12 86.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.978 -1.076 . . . . 1.0 110.42 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -71.19 -35.46 71.57 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.792 -1.193 . . . . 1.0 109.381 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.404 ' HA ' HE21 ' A' ' 565' ' ' GLN . . . -64.3 -38.08 89.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 1.0 109.69 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -66.58 -34.18 77.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.074 -1.016 . . . . 1.0 108.906 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.2 mp -67.99 -42.24 81.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 1.0 108.863 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' A' ' 562' ' ' ALA . 43.8 mt-30 -60.18 -35.37 75.21 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.329 -0.857 . . . . 1.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -78.95 -46.39 18.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.653 -1.279 . . . . 1.0 108.31 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.787 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.39 -33.33 84.21 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.737 -1.745 . . . . 1.0 108.737 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 564' ' ' LEU . 68.1 t -70.06 -49.33 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.149 . . . . 1.0 108.819 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 39.6 m -66.57 -39.8 88.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.903 . . . . 1.0 108.835 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.3 m -62.95 -43.28 99.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.483 -0.761 . . . . 1.0 110.113 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 567' ' ' GLY . 73.0 p -67.35 -33.23 74.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 1.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 568' ' ' VAL . 57.0 t -63.59 -39.18 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.261 -0.899 . . . . 1.0 108.989 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.34 83.67 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 1.0 109.467 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -57.92 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.0 109.456 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.24 -46.07 79.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 1.0 109.452 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 576' ' ' LEU . 4.4 mm? -68.74 -35.39 77.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 1.0 108.838 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.08 -38.0 66.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 1.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.46 -44.17 36.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 1.0 109.429 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.89 . . . . 1.0 109.586 -179.415 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -56.39 -37.16 69.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 1.0 109.381 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.301 -0.874 . . . . 1.0 109.043 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.1 tt -72.22 -43.17 64.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.501 -0.75 . . . . 1.0 109.053 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.0 -35.49 76.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 1.0 109.504 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.89 76.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.9 . . . . 1.0 110.04 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.31 80.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 1.0 109.956 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.16 -37.61 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 1.0 109.491 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.99 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 1.0 109.371 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.8 92.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.912 . . . . 1.0 109.646 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 613' ' ' VAL . 70.5 t -62.92 -43.19 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.113 -0.992 . . . . 1.0 109.325 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.588 ' ND1' ' CE1' ' A' ' 650' ' ' TYR . 18.3 m-70 -70.13 -31.17 68.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.112 -0.992 . . . . 1.0 109.567 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.83 -42.08 99.42 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.8 71.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.113 -1.228 . . . . 1.0 109.538 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.604 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.2 t -67.39 -46.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.081 -1.012 . . . . 1.0 108.978 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -54.6 -34.6 62.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.276 -0.89 . . . . 1.0 108.813 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.07 -34.7 78.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.163 -0.96 . . . . 1.0 108.722 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 616' ' ' LEU . 2.8 tt -68.72 -42.35 77.77 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -42.22 95.89 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.589 -0.893 . . . . 1.0 108.589 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.01 -45.16 59.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 1.0 110.522 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.95 -47.53 80.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.952 -1.092 . . . . 1.0 109.384 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.77 92.31 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.328 -0.858 . . . . 1.0 109.218 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.43 -39.39 92.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.099 -1.001 . . . . 1.0 109.703 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 50.0 m -57.18 -39.16 74.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.693 -1.255 . . . . 1.0 108.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -62.57 -37.52 86.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.0 109.326 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.2 -42.91 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 1.0 109.527 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 1.0 109.559 -179.841 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.519 -0.549 . . . . 1.0 109.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 697' ' ' GLY . 10.1 mt -57.14 -44.03 83.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -62.93 -44.26 96.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 1.0 108.573 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.58 -48.22 79.97 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.867 -0.79 . . . . 1.0 108.867 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.74 88.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.418 -0.801 . . . . 1.0 109.672 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 64.6 tp -58.11 -46.97 84.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.286 -0.884 . . . . 1.0 110.194 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.0 99.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.077 -1.015 . . . . 1.0 110.3 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -60.76 -46.06 91.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.09 -1.006 . . . . 1.0 110.604 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -72.75 -33.82 66.61 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.926 -1.109 . . . . 1.0 110.005 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.45 -47.07 65.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.206 -0.934 . . . . 1.0 110.101 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.96 -37.26 87.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 1.0 109.547 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -64.5 -34.19 77.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.545 -1.28 . . . . 1.0 107.545 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -38.94 83.03 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.65 -51.09 68.64 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 652' ' ' THR . 24.1 t0 -67.55 -43.59 80.32 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.596 -0.69 . . . . 1.0 109.52 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 -40.42 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.339 -0.85 . . . . 1.0 110.135 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.604 ' CE1' HG11 ' A' ' 613' ' ' VAL . 45.6 t80 -66.52 -35.88 81.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.859 -1.151 . . . . 1.0 109.619 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -72.28 -33.03 67.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.07 -1.019 . . . . 1.0 109.46 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 648' ' ' ASP . 76.3 p -61.98 -41.27 97.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 1.0 109.121 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 680' ' ' CYS . 85.5 mt -68.71 -34.43 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.391 -0.818 . . . . 1.0 109.816 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.01 -42.88 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.03 -1.044 . . . . 1.0 109.427 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.4 t -66.83 -44.35 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -61.47 -39.62 91.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.341 -1.355 . . . . 1.0 107.341 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.419 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -71.68 -43.96 50.22 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.464 -1.454 . . . . 1.0 109.464 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.86 -30.72 61.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.059 -1.26 . . . . 1.0 109.72 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 655' ' ' VAL . 70.2 t -63.58 -32.38 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 1.0 110.29 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.55 -30.41 41.78 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.018 -1.051 . . . . 1.0 109.648 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 1.0 109.546 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.05 -25.63 22.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.0 109.202 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -64.51 -47.18 79.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.227 -0.921 . . . . 1.0 109.522 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -57.75 -32.87 67.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 1.0 110.048 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 674' ' ' LEU . 4.4 mm? -63.6 -39.1 93.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.015 . . . . 1.0 109.648 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.67 -35.2 75.64 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.102 -1.444 . . . . 1.0 107.102 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -70.96 -42.66 69.47 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.13 -0.692 . . . . 1.0 109.13 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.419 HD21 ' HA2' ' A' ' 657' ' ' GLY . 16.8 mt -70.18 -47.35 61.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 1.0 108.777 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.58 -32.02 35.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.03 -43.69 67.37 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.605 -0.684 . . . . 1.0 109.22 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.497 ' SG ' HD22 ' A' ' 653' ' ' LEU . 79.9 m -67.09 -39.08 86.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.183 -0.948 . . . . 1.0 109.686 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 27.0 t -57.36 -35.15 69.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.236 -0.915 . . . . 1.0 110.53 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.73 -30.8 56.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.855 -1.153 . . . . 1.0 110.087 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.16 -46.12 62.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.158 -0.964 . . . . 1.0 111.812 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -58.12 -51.42 81.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.934 -1.104 . . . . 1.0 112.493 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.9 Cg_endo -64.3 -41.72 20.21 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 121.972 1.781 . . . . 1.0 112.634 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.61 -40.52 97.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.018 -1.051 . . . . 1.0 108.223 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -75.56 -32.68 60.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.52 -0.738 . . . . 1.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.42 86.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.234 -0.916 . . . . 1.0 109.167 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 689' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 0.2 OUTLIER -68.03 -38.2 82.26 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.37 -0.831 . . . . 1.0 109.506 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.34 -43.71 98.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.329 -0.857 . . . . 1.0 108.964 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.71 -33.6 71.82 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -59.82 -35.65 75.17 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 693' ' ' SER . . . . . 0.58 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 29.4 t -69.8 -41.85 74.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.86 . . . . 1.0 109.299 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.509 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -70.7 -29.44 65.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.92 . . . . 1.0 108.546 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 692' ' ' ALA . 13.8 mt -68.07 -38.01 81.9 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.609 ' CD2' ' N ' ' A' ' 697' ' ' GLY . 1.3 p-80 -73.05 -40.15 65.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.484 -0.76 . . . . 1.0 109.564 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 697' ' ' GLY . . . . . 0.609 ' N ' ' CD2' ' A' ' 696' ' ' HIS . . . -55.59 -27.97 50.17 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.374 -1.49 . . . . 1.0 109.374 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.5 OUTLIER -118.59 7.63 11.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.356 -1.085 . . . . 1.0 109.549 -179.182 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -50.35 -40.45 49.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.177 -0.952 . . . . 1.0 109.273 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.4 t -50.89 -35.4 32.73 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.922 . . . . 1.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.36 -43.42 11.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.965 . . . . 1.0 110.611 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.611 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 51.4 mt -53.5 -32.5 50.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.178 . . . . 1.0 108.749 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 8.6 m-85 -121.66 -68.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 1.0 109.235 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 33.0 ttt85 . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.43 -0.794 . . . . 1.0 109.667 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 108.131 -1.063 . . . . 1.0 108.131 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.21 -37.96 89.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.492 -0.755 . . . . 1.0 111.001 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.52 -42.89 91.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.926 -1.109 . . . . 1.0 110.535 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.51 ' O ' ' OG1' ' A' ' 560' ' ' THR . 15.8 t -75.43 -43.23 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.629 -1.294 . . . . 1.0 108.089 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 561' ' ' LEU . . . -59.77 -43.12 94.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 1.0 109.498 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -32.13 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.67 -1.269 . . . . 1.0 108.798 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.29 -49.6 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.423 -0.798 . . . . 1.0 109.697 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -68.61 -34.83 76.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.902 . . . . 1.0 109.84 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 557' ' ' ALA . 3.7 mt -61.53 -44.97 96.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.9 -1.125 . . . . 1.0 109.036 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.4 81.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 1.0 109.871 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.529 ' HD3' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -61.23 -32.34 72.13 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.115 -0.991 . . . . 1.0 108.739 178.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -70.3 -37.62 74.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.607 -0.683 . . . . 1.0 109.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.28 -30.09 70.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 1.0 109.496 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -77.76 -47.69 18.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 1.0 108.562 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.14 -33.39 87.12 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 564' ' ' LEU . 87.1 t -71.98 -49.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.992 -1.299 . . . . 1.0 109.049 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 t -66.88 -39.79 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 1.0 108.725 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.9 m -62.62 -42.73 99.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.545 -0.722 . . . . 1.0 110.12 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 53.2 p -67.39 -32.82 73.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 1.0 109.864 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.556 HG13 ' OG ' ' A' ' 681' ' ' SER . 58.6 t -66.57 -39.07 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 1.0 109.495 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.3 84.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.148 -0.97 . . . . 1.0 108.721 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' HIS . . . . . 0.836 ' NE2' HD11 ' A' ' 578' ' ' LEU . 29.2 t60 -59.65 -50.22 74.71 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.587 -0.696 . . . . 1.0 109.484 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.18 -45.42 72.12 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.229 -0.919 . . . . 1.0 109.003 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.77 -35.2 69.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -58.35 -37.98 76.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.916 . . . . 1.0 109.223 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.836 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.99 -42.95 84.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.311 -0.868 . . . . 1.0 109.468 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.0 109.498 179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.0 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.184 0.516 . . . . 1.0 109.668 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 600' ' ' GLN . . . . . 0.506 ' CD ' ' H ' ' A' ' 600' ' ' GLN . 2.4 mp0 -57.79 -42.28 83.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 1.0 109.274 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.427 -0.795 . . . . 1.0 109.201 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 606' ' ' VAL . 0.1 OUTLIER -77.1 -43.14 35.3 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.304 -0.872 . . . . 1.0 109.004 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -65.27 -38.27 89.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.847 . . . . 1.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.73 72.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 1.0 109.958 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.19 -47.21 62.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 1.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 602' ' ' LEU . 14.8 p -69.56 -37.57 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 1.0 109.712 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -64.93 -45.9 83.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.966 . . . . 1.0 109.42 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.84 87.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.214 -0.929 . . . . 1.0 109.902 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -44.33 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.021 -1.05 . . . . 1.0 109.529 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.585 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.9 m-70 -68.24 -29.33 68.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.087 -1.008 . . . . 1.0 108.899 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.81 98.56 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.9 76.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.262 . . . . 1.0 109.443 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CE1' ' A' ' 650' ' ' TYR . 86.8 t -66.89 -45.32 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.212 -0.93 . . . . 1.0 109.397 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -56.23 -33.75 65.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.442 -0.786 . . . . 1.0 110.606 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.17 -34.08 77.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.706 -1.246 . . . . 1.0 108.729 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.74 -38.99 87.76 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.438 -1.319 . . . . 1.0 107.438 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -40.44 96.27 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -72.51 -45.5 59.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.0 109.189 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.434 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -64.98 -47.25 78.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 1.0 108.748 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.71 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.848 -1.167 . . . . 1.0 107.848 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -59.98 -41.23 91.55 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 38.2 p -58.26 -37.18 74.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.238 -0.914 . . . . 1.0 108.645 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.68 94.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.451 -0.781 . . . . 1.0 109.065 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.28 -35.48 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 1.0 109.606 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.3 -0.875 . . . . 1.0 110.008 -179.78 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 81.8 m . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.227 0.537 . . . . 1.0 109.568 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 635' ' ' LEU . 4.1 mm? -59.28 -45.97 89.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 1.0 109.558 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 636' ' ' HIS . . . . . 0.417 ' NE2' ' CD2' ' A' ' 702' ' ' LEU . 0.1 OUTLIER -63.05 -42.59 99.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.064 -1.022 . . . . 1.0 108.266 178.526 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.2 78.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.732 -0.84 . . . . 1.0 108.732 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -42.95 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.748 . . . . 1.0 109.177 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.637 ' CD1' HD11 ' A' ' 702' ' ' LEU . 6.4 tt -59.13 -47.42 85.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.392 -0.818 . . . . 1.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.0 t -58.63 -42.74 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 1.0 109.955 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -61.61 -44.82 96.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.138 -0.976 . . . . 1.0 110.24 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.55 ' NE2' ' CG ' ' A' ' 694' ' ' PHE . 7.3 tt0 -74.35 -36.43 63.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.965 -1.084 . . . . 1.0 110.107 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -68.8 -49.85 55.11 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.225 -0.922 . . . . 1.0 110.247 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.52 -36.59 84.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.041 -1.037 . . . . 1.0 108.92 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.53 -34.65 78.74 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.459 -1.312 . . . . 1.0 107.459 178.493 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -37.92 80.14 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.197 -1.038 . . . . 1.0 108.197 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -63.59 -52.38 61.22 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.952 -0.758 . . . . 1.0 108.952 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.51 -42.81 82.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.614 -0.679 . . . . 1.0 109.323 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 645' ' ' LYS . 52.1 t -65.06 -40.25 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.838 . . . . 1.0 110.025 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.674 ' CE1' HG11 ' A' ' 613' ' ' VAL . 42.4 t80 -68.53 -35.65 77.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.032 -1.043 . . . . 1.0 109.392 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.64 -36.08 67.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.217 -0.927 . . . . 1.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.7 m -60.82 -43.0 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.204 -0.935 . . . . 1.0 109.251 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.487 HD22 ' SG ' ' A' ' 680' ' ' CYS . 87.4 mt -71.25 -35.23 71.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.406 -0.809 . . . . 1.0 109.856 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 650' ' ' TYR . 79.7 t -60.2 -44.03 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.063 . . . . 1.0 109.499 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.6 t -65.83 -41.53 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 1.0 108.361 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.51 -37.32 87.14 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -74.16 -46.74 20.45 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.94 -28.6 62.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -1.221 . . . . 1.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.5 t -63.24 -35.05 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.249 -0.907 . . . . 1.0 109.767 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.93 -35.61 61.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.995 . . . . 1.0 109.483 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.0 109.49 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 670' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 672' ' ' ASP . 8.8 t . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.324 0.583 . . . . 1.0 110.1 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.22 -26.17 27.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.383 -0.823 . . . . 1.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 672' ' ' ASP . . . . . 0.786 ' H ' HG23 ' A' ' 670' ' ' THR . 89.4 m-20 -65.75 -46.83 77.37 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.237 -0.914 . . . . 1.0 109.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.67 -31.19 66.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.445 -0.784 . . . . 1.0 109.583 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.26 -36.26 81.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.205 -0.934 . . . . 1.0 109.141 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.97 -35.79 77.72 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.006 -1.479 . . . . 1.0 107.006 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -71.3 -41.17 70.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 109.333 -0.618 . . . . 1.0 109.333 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.46 HD21 ' HA2' ' A' ' 657' ' ' GLY . 14.1 mt -71.09 -47.24 59.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.976 -1.078 . . . . 1.0 108.499 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.88 -32.63 43.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 107.844 -1.169 . . . . 1.0 107.844 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.06 67.49 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 108.399 -0.964 . . . . 1.0 108.399 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 653' ' ' LEU . 84.7 m -66.45 -37.45 85.18 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.6 t -56.48 -34.55 67.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 1.0 110.112 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -77.04 -30.76 55.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.816 -1.178 . . . . 1.0 109.202 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.85 -44.68 54.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.335 -0.853 . . . . 1.0 112.272 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.577 HG11 HG21 ' A' ' 613' ' ' VAL . 2.0 t -60.09 -50.2 87.38 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 120.557 -1.34 . . . . 1.0 112.333 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.7 Cg_endo -67.25 -39.54 12.93 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.99 1.794 . . . . 1.0 112.343 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.69 -40.19 91.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.718 -1.216 . . . . 1.0 107.718 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.84 -34.29 64.48 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.82 93.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.94 . . . . 1.0 109.061 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -39.15 91.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.463 -0.773 . . . . 1.0 109.103 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.03 -43.39 87.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 1.0 109.063 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 48.3 tp -58.66 -33.76 70.47 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.25 -0.906 . . . . 1.0 108.675 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.13 -34.54 78.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.876 . . . . 1.0 109.154 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.2 m -68.44 -41.7 79.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.55 ' CG ' ' NE2' ' A' ' 642' ' ' GLN . 3.7 m-85 -68.41 -33.15 73.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 1.0 108.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -61.55 -37.11 82.58 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.416 -0.802 . . . . 1.0 109.256 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -68.3 -44.22 75.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.376 -0.827 . . . . 1.0 109.912 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.68 -24.82 57.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.432 -1.467 . . . . 1.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.653 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.6 OUTLIER -111.62 2.51 17.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -1.135 . . . . 1.0 109.837 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -49.15 -25.13 1.98 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.094 -1.003 . . . . 1.0 109.317 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.6 p -76.92 -31.99 57.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.187 -0.946 . . . . 1.0 109.737 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.8 mp -93.03 -45.64 7.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.147 -0.971 . . . . 1.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.637 HD11 ' CD1' ' A' ' 639' ' ' LEU . 15.0 mt -55.78 -29.08 59.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.731 -1.231 . . . . 1.0 108.24 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 703' ' ' PHE . 40.7 m-85 -121.51 -112.12 0.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.453 -0.779 . . . . 1.0 109.028 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.834 . . . . 1.0 110.05 -179.545 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.407 0.622 . . . . 1.0 109.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.29 -39.76 84.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.773 . . . . 1.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 1.0 109.753 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.3 -39.38 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.36 91.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -36.47 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.174 -0.954 . . . . 1.0 109.057 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.05 -49.07 66.37 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.424 ' O ' HD13 ' A' ' 564' ' ' LEU . 53.4 m -58.92 -47.75 83.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.327 -0.858 . . . . 1.0 109.754 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 692' ' ' ALA . 28.5 tp -54.72 -45.64 74.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.169 -0.957 . . . . 1.0 110.055 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -43.56 73.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.134 -0.978 . . . . 1.0 109.766 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.406 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 20.2 mtp-105 -70.73 -32.28 69.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 1.0 110.181 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -68.14 -43.25 78.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 1.0 110.026 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.4 -32.21 73.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 1.0 109.081 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -77.43 -50.65 12.25 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.786 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.41 -33.1 86.32 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 108.786 -1.725 . . . . 1.0 108.786 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 564' ' ' LEU . 72.1 t -73.17 -49.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -1.058 . . . . 1.0 108.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.38 -39.47 89.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.841 . . . . 1.0 108.913 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.9 m -62.62 -43.07 99.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.517 -0.74 . . . . 1.0 110.379 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.7 p -67.77 -31.72 71.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.033 . . . . 1.0 110.366 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 568' ' ' VAL . 59.6 t -64.96 -39.6 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.909 -1.119 . . . . 1.0 109.519 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -61.07 -39.25 89.16 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.149 -0.969 . . . . 1.0 108.495 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -57.73 -51.13 70.82 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.561 -0.712 . . . . 1.0 109.432 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.3 tp -56.67 -46.26 81.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 1.0 109.517 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.433 HD13 HG12 ' A' ' 572' ' ' VAL . 5.2 mp -70.1 -32.81 71.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.365 -0.834 . . . . 1.0 109.193 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 573' ' ' ALA . 21.4 t70 -63.79 -35.53 80.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.253 -0.904 . . . . 1.0 109.133 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.3 tt -68.44 -37.48 80.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 1.0 109.5 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 1.0 109.508 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -56.6 -45.26 81.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 1.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -58.17 -34.51 70.41 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.418 -0.801 . . . . 1.0 109.285 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -69.66 -40.32 76.53 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.356 -0.84 . . . . 1.0 109.066 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -64.75 -36.1 83.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 1.0 109.558 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -36.83 75.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 1.0 109.798 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.83 -47.77 57.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.0 109.992 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 5.4 p -70.15 -36.58 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.04 -1.038 . . . . 1.0 109.493 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.4 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -60.36 -36.6 78.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 1.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.79 60.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.261 -0.9 . . . . 1.0 109.42 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.463 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -64.87 -42.73 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 1.0 108.992 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' A' ' 650' ' ' TYR . 4.7 t-80 -60.62 -44.03 96.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.972 . . . . 1.0 109.503 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.89 -39.48 96.97 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.677 -1.369 . . . . 1.0 109.677 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.74 74.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.071 -1.252 . . . . 1.0 110.121 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.641 HG11 ' CE1' ' A' ' 650' ' ' TYR . 71.0 t -70.97 -44.87 75.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 120.913 -1.117 . . . . 1.0 108.328 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -56.75 -38.43 72.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 1.0 110.363 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -68.92 -28.11 66.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.595 -1.316 . . . . 1.0 108.273 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 617' ' ' LEU . 3.9 tt -72.61 -34.93 67.71 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.856 -0.794 . . . . 1.0 108.856 178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 616' ' ' LEU . 4.9 mp -76.23 -39.82 53.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.0 110.06 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.33 -47.79 46.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.155 -0.966 . . . . 1.0 111.494 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.752 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -67.62 -39.79 84.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.717 -1.239 . . . . 1.0 108.893 -179.145 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.752 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.74 -39.06 92.99 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -61.15 -37.6 83.44 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.429 0.633 . . . . 1.0 109.39 178.782 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 30.8 t -60.27 -37.74 81.37 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.481 -0.762 . . . . 1.0 110.094 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.18 86.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 1.0 110.109 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.77 -39.92 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.224 -0.923 . . . . 1.0 109.936 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.048 -1.032 . . . . 1.0 109.635 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.25 0.548 . . . . 1.0 109.64 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 698' ' ' ASN . 0.2 OUTLIER -58.6 -47.28 84.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 1.0 109.464 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -44.9 95.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 1.0 108.36 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.34 76.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.42 94.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.0 109.332 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.609 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.4 tt -59.51 -47.56 85.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0 109.983 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' SER . . . . . 0.435 ' O ' ' OE1' ' A' ' 644' ' ' GLN . 23.1 t -60.33 -39.1 85.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.244 -0.91 . . . . 1.0 110.396 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -62.23 -45.54 92.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.0 110.115 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -74.8 -33.97 62.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.216 -0.928 . . . . 1.0 109.813 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.46 -50.2 64.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 1.0 109.403 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 644' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 644' ' ' GLN . 1.1 mp0 -63.17 -37.63 87.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.439 -0.788 . . . . 1.0 110.106 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 649' ' ' VAL . 17.3 ttpp -64.01 -33.16 75.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.798 -1.189 . . . . 1.0 108.222 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -38.34 79.99 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.486 -0.931 . . . . 1.0 108.486 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 617' ' ' LEU . 56.6 mm-40 -63.33 -50.71 68.94 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -65.14 -42.81 93.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 645' ' ' LYS . 40.7 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.641 ' CE1' HG11 ' A' ' 613' ' ' VAL . 10.9 t80 -64.15 -35.79 81.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 1.0 110.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -31.16 72.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.972 . . . . 1.0 109.823 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 652' ' ' THR . . . . . 0.42 HG22 ' ND1' ' A' ' 656' ' ' HIS . 19.4 m -64.59 -38.56 91.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.052 -1.03 . . . . 1.0 109.46 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 680' ' ' CYS . 15.4 mt -62.73 -39.24 93.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 1.0 109.636 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.22 -44.78 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.171 -0.956 . . . . 1.0 110.028 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.57 -46.84 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.901 -1.124 . . . . 1.0 108.285 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' HIS . . . . . 0.42 ' ND1' HG22 ' A' ' 652' ' ' THR . 13.0 m170 -59.47 -39.0 82.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.7 -44.79 24.6 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.1 -36.46 68.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.431 -1.629 . . . . 1.0 109.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.42 -36.97 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.87 -33.88 67.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.409 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.0 109.576 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 670' ' ' THR . . . . . 0.847 HG23 ' H ' ' A' ' 672' ' ' ASP . 15.1 t . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.309 0.575 . . . . 1.0 109.771 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.15 -25.47 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 1.0 109.816 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 672' ' ' ASP . . . . . 0.847 ' H ' HG23 ' A' ' 670' ' ' THR . 85.2 m-20 -67.17 -46.89 72.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.216 -0.928 . . . . 1.0 109.223 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 673' ' ' ASP . . . . . 0.476 ' CG ' HH21 ' A' ' 676' ' ' ARG . 59.7 t0 -57.51 -34.2 68.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 1.0 109.738 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 674' ' ' LEU . 10.9 mp -66.19 -35.61 80.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 1.0 109.404 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.19 -35.99 78.65 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.192 -1.41 . . . . 1.0 107.192 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 676' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 673' ' ' ASP . 64.6 mtm180 -70.75 -41.95 71.11 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.61 -47.5 59.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.013 -1.054 . . . . 1.0 108.644 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.33 -32.74 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.83 57.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.726 ' CB ' HD21 ' A' ' 653' ' ' LEU . 87.8 m -64.53 -37.92 89.21 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.372 -0.83 . . . . 1.0 109.106 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.591 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 33.6 t -55.79 -33.76 64.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 1.0 110.443 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -75.28 -27.89 59.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 1.0 109.95 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.37 70.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.061 -1.024 . . . . 1.0 110.844 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -57.09 -52.94 70.39 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.094 -1.004 . . . . 1.0 112.334 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.591 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.1 Cg_endo -62.85 -41.51 29.54 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.687 1.592 . . . . 1.0 112.902 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.56 -42.72 98.34 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.967 -1.083 . . . . 1.0 109.002 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -72.52 -34.12 67.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.26 -0.9 . . . . 1.0 109.43 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.95 82.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.152 -0.967 . . . . 1.0 108.957 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -64.65 -36.97 85.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.378 -0.826 . . . . 1.0 109.342 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -65.2 -45.15 85.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.457 -0.777 . . . . 1.0 109.453 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.88 -36.09 74.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.116 -0.99 . . . . 1.0 108.36 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 561' ' ' LEU . . . -57.08 -38.48 73.37 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.635 -0.876 . . . . 1.0 108.635 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 26.7 t -72.03 -42.94 65.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.443 -0.786 . . . . 1.0 109.724 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.522 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.6 m-85 -66.16 -40.65 90.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.091 -1.006 . . . . 1.0 108.408 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 699' ' ' ALA . 7.9 mp -66.26 -36.64 83.53 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.5 -36.21 68.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.427 -0.795 . . . . 1.0 109.734 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.61 67.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 108.906 -1.678 . . . . 1.0 108.906 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.609 HD21 ' CD1' ' A' ' 639' ' ' LEU . 3.6 p30 -125.66 8.05 7.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.415 -1.05 . . . . 1.0 109.584 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.49 -40.54 62.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.131 -0.981 . . . . 1.0 109.653 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.9 m -48.19 -32.83 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -0.945 . . . . 1.0 109.722 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.61 -39.88 13.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.184 -0.947 . . . . 1.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.513 HD21 ' OD1' ' A' ' 698' ' ' ASN . 35.4 mt -55.09 -32.23 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.763 -1.211 . . . . 1.0 108.484 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 -67.01 1.02 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 1.0 109.158 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 14.0 tpt85 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 1.0 109.977 179.689 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.175 -1.046 . . . . 1.0 108.175 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 699' ' ' ALA . 2.2 tt -53.82 -43.17 69.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.577 -0.702 . . . . 1.0 109.398 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 558' ' ' VAL . 42.8 tp10 -63.61 -41.18 98.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.0 109.845 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.523 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.3 t -74.09 -37.49 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.677 -1.265 . . . . 1.0 107.902 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.3 -42.97 74.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.638 -0.664 . . . . 1.0 109.659 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 555' ' ' GLU . 27.2 m -72.84 -33.57 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.376 -0.827 . . . . 1.0 110.811 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -73.05 -51.47 18.0 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.573 -1.329 . . . . 1.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -61.02 -43.58 98.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.505 -0.747 . . . . 1.0 109.828 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.24 -41.17 90.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.074 -1.016 . . . . 1.0 109.428 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.55 79.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.204 -0.935 . . . . 1.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.486 ' NH1' ' CD1' ' A' ' 564' ' ' LEU . 2.2 ttt-85 -63.27 -33.63 75.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.225 -0.922 . . . . 1.0 109.073 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.7 mp -67.09 -40.29 86.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.413 -0.804 . . . . 1.0 110.076 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.38 -31.89 72.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 1.0 109.92 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -77.3 -48.41 17.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 1.0 108.343 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 571' ' ' THR . . . -59.47 -33.4 76.3 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.1 t -72.16 -48.07 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -1.227 . . . . 1.0 108.391 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.9 m -63.78 -41.59 97.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.355 -0.98 . . . . 1.0 108.355 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 59.5 m -60.97 -42.07 97.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.621 -0.674 . . . . 1.0 109.825 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.55 ' OG1' HG23 ' A' ' 609' ' ' VAL . 12.8 p -63.0 -32.98 74.46 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.192 -0.942 . . . . 1.0 110.376 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.33 -37.85 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.926 -1.109 . . . . 1.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.85 87.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 1.0 108.56 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -58.23 -49.41 77.18 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.536 -0.727 . . . . 1.0 109.728 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.02 -48.74 75.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.375 -0.828 . . . . 1.0 109.535 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.26 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -0.775 . . . . 1.0 109.381 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.29 -39.33 82.64 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.195 -0.94 . . . . 1.0 108.872 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 601' ' ' ASP . 2.8 mm? -63.92 -43.3 96.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.43 -0.794 . . . . 1.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.935 . . . . 1.0 109.492 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.13 0.49 . . . . 1.0 110.089 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -57.42 -37.08 72.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 578' ' ' LEU . 55.2 t0 -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.293 -0.88 . . . . 1.0 109.329 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.5 tt -70.32 -43.22 70.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.394 -0.816 . . . . 1.0 108.999 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -58.27 -35.32 71.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.35 -0.844 . . . . 1.0 109.818 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.04 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.185 -0.947 . . . . 1.0 109.994 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.56 59.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.231 -0.918 . . . . 1.0 110.254 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 602' ' ' LEU . 8.3 p -66.48 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 1.0 109.728 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -68.54 -26.55 65.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.205 -0.934 . . . . 1.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.45 -51.32 44.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.236 -0.915 . . . . 1.0 109.973 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.55 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.08 -43.04 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.129 -0.982 . . . . 1.0 109.28 -179.495 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.59 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 4.7 m-70 -60.86 -43.59 98.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.0 108.87 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.61 -40.98 98.64 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 110.12 -1.192 . . . . 1.0 110.12 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.92 73.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.92 -1.341 . . . . 1.0 109.576 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.924 HG11 ' CD1' ' A' ' 650' ' ' TYR . 71.9 t -64.51 -46.46 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 1.0 109.145 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -53.26 -38.06 62.7 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.05 -32.54 73.07 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -70.23 -44.29 68.86 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.372 -1.344 . . . . 1.0 107.372 178.751 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -61.9 -40.55 95.82 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.889 -1.152 . . . . 1.0 107.889 178.791 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.24 -44.54 62.74 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 1.0 109.585 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.4 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.88 -48.29 77.26 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.059 -1.026 . . . . 1.0 108.644 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.08 95.84 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.439 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.36 -42.92 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.678 -0.639 . . . . 1.0 109.464 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.5 p -64.48 -39.68 94.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.31 -0.869 . . . . 1.0 109.056 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 702' ' ' LEU . . . -57.69 -47.66 81.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.332 -0.855 . . . . 1.0 109.51 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.16 -35.55 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.248 -0.908 . . . . 1.0 109.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.244 -0.91 . . . . 1.0 109.324 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.193 0.52 . . . . 1.0 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.75 -48.26 80.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 1.0 109.468 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -58.22 -44.03 87.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.331 -0.988 . . . . 1.0 108.331 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.44 67.64 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.507 -0.746 . . . . 1.0 109.004 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.46 -44.58 96.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.345 -0.847 . . . . 1.0 109.509 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.5 tt -71.16 -46.43 61.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -0.823 . . . . 1.0 109.3 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 44.6 t -58.1 -42.2 85.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 1.0 109.765 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -58.7 -45.57 89.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.078 -1.014 . . . . 1.0 109.949 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.689 ' NE2' ' CZ ' ' A' ' 694' ' ' PHE . 83.5 mt-30 -70.17 -33.42 71.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 1.0 110.216 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.75 -48.17 72.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.147 -0.971 . . . . 1.0 109.816 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.84 -37.49 81.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.282 -0.886 . . . . 1.0 108.966 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -66.72 -36.01 81.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.24 -37.15 83.08 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.042 -1.095 . . . . 1.0 108.042 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -63.2 -52.42 62.37 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.654 0.74 . . . . 1.0 109.168 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -67.43 -43.9 80.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.615 -0.678 . . . . 1.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 23.2 t -61.19 -45.09 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.282 -0.886 . . . . 1.0 110.113 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.924 ' CD1' HG11 ' A' ' 613' ' ' VAL . 36.6 t80 -69.76 -35.69 75.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.98 -1.075 . . . . 1.0 110.671 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.29 -36.01 68.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.674 -1.266 . . . . 1.0 109.937 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 50.5 m -61.69 -43.29 99.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 1.0 109.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 657' ' ' GLY . 86.7 mt -68.89 -36.58 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 1.0 109.694 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 650' ' ' TYR . 77.6 t -61.09 -44.23 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.595 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 659' ' ' VAL . 89.0 t -67.35 -44.19 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.078 -1.014 . . . . 1.0 108.441 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -65.27 -36.34 83.82 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 107.586 -1.264 . . . . 1.0 107.586 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -73.89 -43.68 33.61 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.389 -1.484 . . . . 1.0 109.389 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -55.73 -30.54 61.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -1.169 . . . . 1.0 109.565 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -64.56 -36.65 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 1.0 110.009 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.641 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.2 -25.47 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.114 -0.991 . . . . 1.0 109.513 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.5 t0 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.391 -0.818 . . . . 1.0 109.762 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.291 0.567 . . . . 1.0 110.028 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.72 -23.91 13.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.0 109.722 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -66.22 -44.74 82.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.173 -0.954 . . . . 1.0 108.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -57.88 -35.33 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 1.0 109.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -60.24 -42.76 95.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.297 -0.877 . . . . 1.0 109.025 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.32 -35.78 76.4 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.321 -1.363 . . . . 1.0 107.321 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 676' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 91.0 mtt-85 -73.7 -38.92 64.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.67 -49.63 61.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.932 -1.105 . . . . 1.0 108.58 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 67.2 t -55.24 -31.03 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 679' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -68.55 -40.55 80.63 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.28 -41.77 93.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.403 -0.81 . . . . 1.0 108.924 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.657 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.05 -31.95 65.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 1.0 110.271 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.45 -32.04 58.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.755 -1.216 . . . . 1.0 109.508 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.139 -0.976 . . . . 1.0 110.906 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -56.36 -51.29 82.14 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.815 -1.178 . . . . 1.0 112.276 -176.132 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.657 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.8 Cg_exo -66.41 -42.01 10.84 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.569 1.512 . . . . 1.0 112.481 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.65 -44.36 94.04 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.059 -1.026 . . . . 1.0 108.953 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.83 -37.65 64.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -0.797 . . . . 1.0 110.597 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.68 97.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.799 -1.188 . . . . 1.0 109.291 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -65.68 -38.69 89.96 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.16 -0.962 . . . . 1.0 108.99 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -59.67 -45.49 91.9 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -0.892 . . . . 1.0 108.986 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 691' ' ' LEU . . . . . 0.581 ' O ' HD13 ' A' ' 695' ' ' LEU . 8.0 mp -58.9 -36.98 75.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 1.0 108.703 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.93 81.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.285 -0.884 . . . . 1.0 109.193 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.8 m -68.57 -43.56 76.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.905 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.689 ' CZ ' ' NE2' ' A' ' 642' ' ' GLN . 3.1 m-85 -64.6 -36.32 83.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.098 -1.002 . . . . 1.0 109.038 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 691' ' ' LEU . 6.4 mp -61.08 -37.63 83.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 1.0 108.925 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -61.33 -45.6 93.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.927 . . . . 1.0 110.46 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.07 -21.18 75.4 Favored Glycine 0 N--CA 1.495 2.579 0 C-N-CA 119.993 -1.098 . . . . 1.0 110.416 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.606 ' ND2' ' N ' ' A' ' 698' ' ' ASN . 0.1 OUTLIER -111.84 2.6 17.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.876 -1.367 . . . . 1.0 110.15 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 554' ' ' LEU . . . -59.18 -22.42 60.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.109 -0.995 . . . . 1.0 109.458 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 41.5 t -67.73 -46.98 70.62 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 701' ' ' LEU . 11.2 mp -101.59 -20.28 15.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.473 -0.767 . . . . 1.0 110.146 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 623' ' ' ALA . 48.8 tp -65.73 -26.87 67.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.836 -1.165 . . . . 1.0 108.613 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.56 -74.27 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.437 -0.79 . . . . 1.0 109.42 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.0 109.763 -179.694 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.542 ' CD1' ' HB1' ' A' ' 699' ' ' ALA . 21.1 tp -55.85 -40.58 73.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.454 -0.779 . . . . 1.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.47 -42.41 83.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.427 -0.796 . . . . 1.0 110.493 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.642 ' O ' ' OG1' ' A' ' 560' ' ' THR . 76.5 t -69.98 -48.49 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.639 -1.288 . . . . 1.0 107.549 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.66 -40.24 71.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.446 -0.946 . . . . 1.0 108.446 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.94 -35.98 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.448 -0.782 . . . . 1.0 109.62 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.95 -48.54 44.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.927 -1.108 . . . . 1.0 108.78 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.9 -45.05 95.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.777 -0.577 . . . . 1.0 110.152 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.4 -28.87 69.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.241 -0.912 . . . . 1.0 109.859 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.2 81.59 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.81 . . . . 1.0 109.435 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 62.3 mtm-85 -66.47 -32.13 73.3 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.285 -0.884 . . . . 1.0 109.449 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.1 mp -72.59 -41.25 65.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 1.0 109.247 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.76 -36.19 76.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 1.0 110.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 566' ' ' GLN . 10.2 pt20 -79.14 -43.09 24.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.577 -1.327 . . . . 1.0 108.889 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.01 -32.41 82.11 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 108.76 -1.736 . . . . 1.0 108.76 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 564' ' ' LEU . 80.6 t -71.06 -49.04 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.353 -1.086 . . . . 1.0 108.938 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 13.9 m -66.34 -38.54 87.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 1.0 108.71 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.3 m -61.59 -42.57 99.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.685 . . . . 1.0 109.947 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 609' ' ' VAL . 35.3 p -66.03 -33.51 75.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.179 -0.95 . . . . 1.0 109.718 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.79 -38.76 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.0 109.228 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.68 -38.65 82.12 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.15 -51.56 67.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.649 -0.657 . . . . 1.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 575' ' ' LEU . 0.2 OUTLIER -57.71 -49.15 77.48 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.368 -0.832 . . . . 1.0 109.608 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.0 -36.34 81.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 1.0 109.184 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.7 m-20 -60.0 -39.79 86.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.892 . . . . 1.0 109.15 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 605' ' ' ALA . 12.4 mt -62.62 -37.79 87.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.383 -0.823 . . . . 1.0 109.353 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 1.0 109.507 -179.725 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.183 0.516 . . . . 1.0 109.72 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.26 -45.43 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -0.973 . . . . 1.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.15 -37.95 78.52 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.474 -0.766 . . . . 1.0 109.104 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.6 tt -74.56 -41.66 60.15 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.46 -0.775 . . . . 1.0 109.106 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -32.02 73.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.531 -0.73 . . . . 1.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.8 57.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.0 109.902 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 578' ' ' LEU . . . -68.99 -47.67 64.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.0 110.135 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 2.7 p -61.13 -35.73 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.007 . . . . 1.0 109.808 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -69.77 -28.57 65.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 1.0 109.842 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.71 -52.83 33.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 1.0 110.191 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.869 ' O ' HG23 ' A' ' 613' ' ' VAL . 2.7 p -63.43 -43.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.935 -1.103 . . . . 1.0 109.565 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.717 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 7.2 t-80 -60.49 -47.44 86.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.123 -0.986 . . . . 1.0 108.973 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.22 -40.77 96.23 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 109.144 -1.582 . . . . 1.0 109.144 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.04 77.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -1.125 . . . . 1.0 109.776 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 609' ' ' VAL . 18.7 t -67.43 -44.61 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.927 -1.108 . . . . 1.0 108.876 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -36.98 61.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -0.758 . . . . 1.0 109.666 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.25 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.266 -1.012 . . . . 1.0 108.266 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.597 HD22 ' HB1' ' A' ' 688' ' ' ALA . 6.4 tp -66.65 -44.07 82.88 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -45.02 95.78 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.856 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.72 -45.13 60.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.95 -1.094 . . . . 1.0 111.125 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.441 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -62.42 -47.56 83.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.748 -1.22 . . . . 1.0 109.69 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.1 89.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.99 -1.069 . . . . 1.0 109.589 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -38.74 82.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.163 -0.961 . . . . 1.0 109.078 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 622' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 625' ' ' SER . 24.2 m -57.78 -42.93 85.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 1.0 108.369 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.75 76.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 1.0 109.794 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.07 -35.53 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.948 . . . . 1.0 109.709 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 622' ' ' SER . 84.8 p . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 1.0 109.618 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 697' ' ' GLY . 69.1 mt -58.06 -46.25 85.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 1.0 109.43 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -62.91 -45.6 91.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.193 -0.942 . . . . 1.0 108.541 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.94 75.24 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -63.69 -46.02 87.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.447 -0.783 . . . . 1.0 109.178 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.635 HD22 HD22 ' A' ' 698' ' ' ASN . 27.0 tp -62.97 -46.54 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 1.0 109.442 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -42.26 98.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.158 -0.964 . . . . 1.0 109.293 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.47 -44.35 97.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 1.0 109.631 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.445 ' CB ' HD11 ' A' ' 691' ' ' LEU . 83.3 mm-40 -72.05 -47.01 54.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 1.0 109.657 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -59.24 -45.17 91.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.409 -0.807 . . . . 1.0 110.003 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.64 -32.04 73.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.112 -0.993 . . . . 1.0 109.024 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -65.57 -39.65 91.9 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.83 -38.92 90.2 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -60.68 -51.23 70.24 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.59 0.709 . . . . 1.0 109.102 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -66.26 -41.72 89.5 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.572 -0.705 . . . . 1.0 109.266 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 645' ' ' LYS . 92.1 t -65.65 -39.17 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 1.0 110.088 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.717 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 6.0 t80 -63.5 -35.48 80.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.949 -1.094 . . . . 1.0 110.037 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.37 -31.8 72.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.048 -1.033 . . . . 1.0 109.725 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.5 m -64.95 -37.9 89.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.13 -0.981 . . . . 1.0 109.266 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 657' ' ' GLY . 5.2 mt -65.79 -37.05 85.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.361 -0.837 . . . . 1.0 109.562 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 658' ' ' GLN . 77.7 t -60.18 -43.27 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.017 . . . . 1.0 109.254 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.06 -46.97 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.031 -1.043 . . . . 1.0 108.423 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.35 -36.81 83.4 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.766 -1.198 . . . . 1.0 107.766 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -75.26 -40.55 33.55 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.0 mm-40 -54.7 -30.03 54.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -1.217 . . . . 1.0 109.223 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.54 -39.54 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 1.0 109.628 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 602' ' ' LEU . 2.6 tt -81.01 75.45 7.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -0.85 . . . . 1.0 109.411 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 48.5 t0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 1.0 109.515 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.33 0.586 . . . . 1.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.63 -26.11 30.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 1.0 109.554 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.91 -47.13 72.73 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.225 -0.922 . . . . 1.0 108.833 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -56.84 -36.68 70.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.4 -0.812 . . . . 1.0 109.59 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.08 -35.08 80.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.29 -0.881 . . . . 1.0 109.171 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.61 -36.63 79.05 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.063 -1.458 . . . . 1.0 107.063 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 676' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 676' ' ' ARG . 19.8 mtp-105 -73.65 -37.11 65.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.8 -48.71 58.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.059 . . . . 1.0 108.643 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.58 -30.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 107.763 -1.199 . . . . 1.0 107.763 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.58 -47.69 58.95 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.734 -0.839 . . . . 1.0 108.734 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 16.3 m -67.68 -42.56 81.89 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.246 -0.909 . . . . 1.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.67 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -59.62 -31.22 69.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.885 . . . . 1.0 110.259 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -75.13 -26.96 59.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.887 -1.133 . . . . 1.0 110.003 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.5 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.13 -0.981 . . . . 1.0 111.894 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.577 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 1.7 t -63.63 -49.38 77.46 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.772 -1.205 . . . . 1.0 112.515 -178.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.67 ' CD ' ' O ' ' A' ' 681' ' ' SER . 19.0 Cg_endo -64.05 -43.21 16.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.717 1.612 . . . . 1.0 112.456 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -66.24 -37.72 86.19 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -73.12 -32.13 64.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.786 -0.82 . . . . 1.0 108.786 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' ALA . . . . . 0.597 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -59.56 -41.04 89.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.288 -0.882 . . . . 1.0 108.699 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -42.01 87.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.445 -0.784 . . . . 1.0 109.138 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.31 -42.08 99.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.842 . . . . 1.0 108.968 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 691' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 691' ' ' LEU . 2.6 mm? -60.95 -33.69 73.59 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.242 -1.021 . . . . 1.0 108.242 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.87 72.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 22.5 m -65.83 -39.94 91.3 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.402 -0.812 . . . . 1.0 109.337 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -65.08 -32.9 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.0 108.895 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 702' ' ' LEU . 3.2 mm? -61.24 -38.75 87.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.283 -0.886 . . . . 1.0 109.242 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -66.64 -44.64 81.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.199 -0.938 . . . . 1.0 110.645 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 697' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -62.07 -24.79 65.44 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.765 -1.334 . . . . 1.0 109.765 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.635 HD22 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -109.0 1.01 20.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.125 -1.221 . . . . 1.0 109.31 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.542 ' HB1' ' CD1' ' A' ' 554' ' ' LEU . . . -59.02 -29.36 67.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.336 -0.853 . . . . 1.0 109.555 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -49.11 77.18 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.184 -0.947 . . . . 1.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.2 -13.94 16.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.211 -0.93 . . . . 1.0 111.204 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 695' ' ' LEU . 60.8 tp -66.75 -29.96 70.06 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.757 -1.214 . . . . 1.0 108.716 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.56 -88.11 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.459 -0.776 . . . . 1.0 109.438 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.504 . . . . 1.0 109.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.32 -43.2 74.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 1.0 110.339 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 555' ' ' GLU . 58.2 mp0 -63.09 -42.94 99.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 1.0 110.189 -178.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.8 t -71.45 -36.09 59.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.817 -1.179 . . . . 1.0 107.817 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.54 72.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.674 -0.641 . . . . 1.0 110.684 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 562' ' ' ALA . 1.8 m -69.65 -34.57 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.398 -1.439 . . . . 1.0 108.382 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -72.14 -51.26 22.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 1.0 108.845 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -59.98 -49.31 78.19 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.395 -0.816 . . . . 1.0 110.127 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -67.29 -35.2 78.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.856 -1.152 . . . . 1.0 109.428 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 562' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 558' ' ' VAL . . . -65.12 -41.2 95.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 1.0 109.751 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -62.14 -31.75 72.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.099 -1.0 . . . . 1.0 109.492 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.2 mp -67.09 -40.74 87.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.465 -0.772 . . . . 1.0 109.858 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.71 -32.02 73.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.362 -0.836 . . . . 1.0 109.594 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -77.87 -51.19 10.85 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.189 -0.944 . . . . 1.0 108.634 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.49 -33.88 88.42 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.212 -1.155 . . . . 1.0 110.212 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 564' ' ' LEU . 81.7 t -73.36 -48.66 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.903 -1.351 . . . . 1.0 108.808 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.91 -38.64 86.6 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.79 -0.818 . . . . 1.0 108.79 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 m -61.85 -43.49 98.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.51 -0.744 . . . . 1.0 109.865 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 567' ' ' GLY . 77.8 p -65.87 -35.57 81.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 1.0 109.721 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 568' ' ' VAL . 74.1 t -61.4 -36.83 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.166 -0.958 . . . . 1.0 109.224 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.44 -38.12 79.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.134 -0.979 . . . . 1.0 108.561 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -55.78 -51.63 66.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.572 -0.705 . . . . 1.0 109.585 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 579' ' ' VAL . 6.7 tp -58.68 -49.67 76.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.365 -0.834 . . . . 1.0 109.371 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 576' ' ' LEU . . . . . 0.43 HD12 HG12 ' A' ' 572' ' ' VAL . 13.7 mt -65.49 -36.02 82.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.515 -0.741 . . . . 1.0 109.645 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 573' ' ' ALA . 54.2 t0 -72.76 -37.31 67.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.133 -0.979 . . . . 1.0 109.087 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.625 HD11 ' OD2' ' A' ' 601' ' ' ASP . 8.6 tp -69.82 -44.28 70.31 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 1.0 109.342 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 575' ' ' LEU . 27.4 m . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.0 109.438 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.112 0.482 . . . . 1.0 109.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 600' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 601' ' ' ASP . 18.0 pt20 -56.66 -42.05 78.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.253 -0.904 . . . . 1.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.625 ' OD2' HD11 ' A' ' 578' ' ' LEU . 48.3 t0 -61.96 -39.24 91.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.326 -0.859 . . . . 1.0 109.575 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 606' ' ' VAL . 42.8 tp -67.05 -42.04 85.47 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.287 -0.883 . . . . 1.0 109.612 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -71.0 -31.49 68.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0 109.534 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.93 -46.43 52.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 1.0 110.025 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.76 81.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.987 . . . . 1.0 110.089 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 602' ' ' LEU . 11.8 p -63.61 -36.4 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.066 -1.021 . . . . 1.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.32 -34.19 70.33 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.0 109.591 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.8 -45.21 71.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.0 109.866 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.582 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.71 -41.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.0 109.149 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.605 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.2 m80 -64.01 -41.83 97.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 1.0 109.123 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.71 97.78 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.893 -1.283 . . . . 1.0 109.893 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.76 70.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.978 -1.307 . . . . 1.0 109.617 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 684' ' ' VAL . 86.3 t -70.81 -47.16 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 1.0 108.836 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -54.7 -34.5 62.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.211 -0.93 . . . . 1.0 108.679 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -29.44 67.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.154 -0.966 . . . . 1.0 108.807 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 564' ' ' LEU . 16.1 tp -71.39 -43.94 65.9 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.449 HD23 ' OE2' ' A' ' 647' ' ' GLU . 1.0 OUTLIER -61.6 -34.43 75.62 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.177 -1.046 . . . . 1.0 108.177 178.294 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.52 -44.21 62.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.621 -0.675 . . . . 1.0 109.937 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.529 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -62.77 -46.48 87.82 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.862 -1.149 . . . . 1.0 108.205 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.25 -38.55 89.69 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.55 -46.54 87.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.685 -0.634 . . . . 1.0 109.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.8 t -58.78 -39.47 81.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.9 . . . . 1.0 109.095 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -65.48 -36.93 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.455 -0.778 . . . . 1.0 109.716 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 620' ' ' ALA . 84.2 t -66.22 -42.85 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 1.0 109.616 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.685 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 635' ' ' LEU . 10.1 mp -58.49 -45.5 88.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -63.24 -43.02 99.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.092 -1.005 . . . . 1.0 108.35 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.81 78.07 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.76 -0.83 . . . . 1.0 108.76 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -44.47 92.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.467 -0.771 . . . . 1.0 109.109 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 62.1 tp -59.27 -46.99 87.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.0 109.709 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 13.5 t -61.91 -46.92 87.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.206 -0.934 . . . . 1.0 109.994 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -61.5 -47.2 86.7 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.448 -0.782 . . . . 1.0 110.335 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.58 -43.25 66.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.054 -1.029 . . . . 1.0 109.929 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.18 -43.35 78.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.244 -0.91 . . . . 1.0 109.777 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 1.0 108.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttpt -64.0 -40.19 95.81 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 107.914 -1.143 . . . . 1.0 107.914 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.683 ' HG3' HD11 ' A' ' 691' ' ' LEU . 92.8 mmm -66.74 -38.14 86.04 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.193 -1.039 . . . . 1.0 108.193 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.449 ' OE2' HD23 ' A' ' 617' ' ' LEU . 50.3 mm-40 -60.59 -50.76 72.23 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.915 -0.772 . . . . 1.0 108.915 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.41 -41.85 88.67 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.158 -0.617 . . . . 1.0 109.401 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.1 t -69.44 -41.62 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 1.0 110.282 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.605 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 19.8 t80 -58.47 -36.61 73.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.936 -1.103 . . . . 1.0 109.736 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.98 -32.82 71.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 1.0 109.133 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 63.7 m -65.91 -37.02 84.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.198 -0.939 . . . . 1.0 109.126 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.682 HD13 ' SG ' ' A' ' 680' ' ' CYS . 83.4 mt -70.61 -34.59 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 1.0 109.432 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 75.2 t -59.17 -42.7 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 1.0 109.647 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 659' ' ' VAL . 55.4 t -67.76 -43.16 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.039 -1.038 . . . . 1.0 108.528 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -63.85 -37.11 86.16 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.551 -1.277 . . . . 1.0 107.551 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -75.56 -41.86 28.52 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.501 -1.44 . . . . 1.0 109.501 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 5.7 mm-40 -55.06 -22.1 14.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.178 -1.189 . . . . 1.0 109.597 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 655' ' ' VAL . 74.8 t -61.53 -31.65 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 1.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 95.3 mt -53.27 -34.8 58.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.1 -1.0 . . . . 1.0 109.608 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 1.0 109.731 179.889 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.316 0.579 . . . . 1.0 109.78 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.88 -25.54 43.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 1.0 109.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.0 -47.62 83.96 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.33 -0.856 . . . . 1.0 109.178 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.21 -32.89 64.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.305 -0.872 . . . . 1.0 109.67 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.73 -39.4 93.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 1.0 109.255 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.36 -36.02 74.97 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.251 -1.389 . . . . 1.0 107.251 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -71.07 -41.39 70.78 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.815 -0.553 . . . . 1.0 109.569 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.67 -48.29 55.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.972 -1.08 . . . . 1.0 109.035 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 678' ' ' VAL . . . . . 0.427 HG23 ' HG ' ' A' ' 674' ' ' LEU . 53.0 t -56.6 -32.18 36.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 679' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 682' ' ' ARG . . . -71.1 -31.82 68.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -79.92 -41.93 25.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.314 -0.866 . . . . 1.0 109.391 179.341 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.666 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -56.42 -35.15 67.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.27 -0.893 . . . . 1.0 110.492 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 679' ' ' ALA . 1.9 ptt180 -78.82 -29.03 44.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.743 -1.223 . . . . 1.0 110.224 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.75 64.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.053 -1.029 . . . . 1.0 111.35 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 613' ' ' VAL . 0.9 OUTLIER -65.81 -48.66 62.27 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.024 -1.048 . . . . 1.0 112.406 -177.079 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.666 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.2 Cg_exo -68.32 -43.38 4.47 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 121.89 1.727 . . . . 1.0 112.872 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 686' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 690' ' ' GLN . 0.4 OUTLIER -61.46 -37.18 82.65 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.891 -1.131 . . . . 1.0 108.199 179.644 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.54 -30.89 61.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.666 -0.646 . . . . 1.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 688' ' ' ALA . . . . . 0.474 ' HB1' ' CD2' ' A' ' 616' ' ' LEU . . . -59.53 -41.16 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.14 -0.975 . . . . 1.0 108.503 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 689' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 17.3 mtmt -65.1 -38.03 89.41 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 690' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 686' ' ' GLU . 70.4 mt-30 -60.11 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.687 -0.857 . . . . 1.0 108.687 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 691' ' ' LEU . . . . . 0.683 HD11 ' HG3' ' A' ' 646' ' ' MET . 95.4 mt -58.99 -35.29 72.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 689' ' ' LYS . . . -58.64 -41.04 85.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.644 -0.66 . . . . 1.0 109.91 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 36.8 t -71.53 -43.69 65.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.981 . . . . 1.0 110.072 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.432 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 3.1 m-85 -69.09 -37.02 78.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 1.0 108.79 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 699' ' ' ALA . 3.0 tp -65.68 -36.19 82.93 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.829 -1.175 . . . . 1.0 107.829 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.01 -38.06 72.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.53 -0.731 . . . . 1.0 109.367 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 697' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 635' ' ' LEU . . . -62.07 -25.05 65.75 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.869 -1.692 . . . . 1.0 108.869 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.608 ' ND2' ' N ' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -120.69 0.57 10.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -1.049 . . . . 1.0 109.521 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.23 -37.68 48.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 1.0 109.401 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 34.0 m -51.98 -35.6 46.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.259 -0.901 . . . . 1.0 109.777 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.5 mp -90.07 -38.61 13.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -0.979 . . . . 1.0 110.607 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 78.6 mt -52.21 -32.95 38.91 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.028 -1.101 . . . . 1.0 108.028 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -117.12 -72.82 0.67 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 1.0 109.847 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 699' ' ' ALA . 23.0 tp -57.19 -45.28 83.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.57 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.3 mt-10 -66.13 -46.83 76.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 1.0 110.295 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.503 ' O ' ' OG1' ' A' ' 560' ' ' THR . 78.2 t -67.33 -49.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.751 -1.218 . . . . 1.0 108.546 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.57 66.73 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.604 -0.685 . . . . 1.0 110.413 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 559' ' ' GLU . 0.9 OUTLIER -63.59 -45.11 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.634 -1.291 . . . . 1.0 108.81 -179.266 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 559' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.5 OUTLIER -73.54 -46.74 45.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.464 -0.773 . . . . 1.0 110.366 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.67 -41.27 88.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.953 -1.092 . . . . 1.0 110.691 -178.77 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.64 -31.96 72.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.583 -1.323 . . . . 1.0 108.188 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.627 -0.67 . . . . 1.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -66.14 -33.94 76.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 1.0 109.238 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 616' ' ' LEU . 2.3 mp -64.7 -42.15 95.5 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 1.0 109.8 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.9 -33.28 73.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.353 -0.842 . . . . 1.0 110.68 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.77 -45.39 21.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.84 -1.163 . . . . 1.0 108.415 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.4 83.25 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.441 -1.463 . . . . 1.0 109.441 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 564' ' ' LEU . 64.3 t -71.15 -48.52 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.304 . . . . 1.0 108.537 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 85.4 p -66.21 -37.02 84.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.166 -0.959 . . . . 1.0 108.754 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.7 m -62.79 -42.57 99.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.611 -0.681 . . . . 1.0 110.315 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 609' ' ' VAL . 18.1 p -68.0 -36.88 80.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.103 -0.998 . . . . 1.0 110.519 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.61 HG21 ' HG3' ' A' ' 685' ' ' PRO . 97.9 t -69.3 -35.83 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.948 -1.095 . . . . 1.0 109.36 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.88 82.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.097 -1.002 . . . . 1.0 108.543 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.24 -49.76 75.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.647 -0.658 . . . . 1.0 109.762 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.4 tp -58.04 -49.22 77.64 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.274 -0.891 . . . . 1.0 109.334 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.97 -41.57 70.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.446 -0.784 . . . . 1.0 109.336 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.92 -43.32 94.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.301 -0.874 . . . . 1.0 109.055 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.39 -41.13 94.02 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 1.0 109.458 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 575' ' ' LEU . 79.7 t . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.0 109.652 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.209 0.528 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -56.06 -37.17 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 1.0 109.334 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.54 -38.74 91.21 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.295 -0.878 . . . . 1.0 109.216 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 660' ' ' LEU . 29.6 tp -69.55 -43.43 72.97 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.32 -0.862 . . . . 1.0 108.934 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -61.85 -33.75 74.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.463 -0.773 . . . . 1.0 109.457 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.56 73.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.28 73.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 1.0 110.22 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.35 -36.38 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 1.0 109.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.93 76.9 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.91 . . . . 1.0 109.424 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.04 72.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.0 110.049 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.19 -42.36 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.0 109.845 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 654' ' ' VAL . 8.1 m80 -60.34 -40.5 90.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.938 -1.101 . . . . 1.0 109.074 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 611' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.85 -45.92 40.45 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 110.142 -1.183 . . . . 1.0 110.142 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.63 -39.47 77.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.333 . . . . 1.0 109.732 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.829 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.9 p -66.14 -45.51 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.074 -1.016 . . . . 1.0 109.117 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' HIS . . . . . 0.571 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 12.2 m80 -53.35 -33.67 54.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 1.0 108.792 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 77.0 mm-40 -62.11 -32.32 72.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.699 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.9 tp -67.36 -43.54 81.2 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.357 -0.979 . . . . 1.0 108.357 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.939 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.8 OUTLIER -69.47 -35.91 76.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.701 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.44 -42.09 72.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.004 . . . . 1.0 109.788 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.604 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -66.47 -44.77 81.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.764 -1.21 . . . . 1.0 108.312 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.221 -1.4 . . . . 1.0 107.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -69.41 -45.58 68.86 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.078 -1.082 . . . . 1.0 108.078 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.0 t -58.03 -46.59 85.09 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.74 85.06 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.774 -0.578 . . . . 1.0 110.192 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 620' ' ' ALA . 74.6 t -62.47 -39.15 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.176 -0.952 . . . . 1.0 109.576 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.07 . . . . 1.0 109.077 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.6 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.16 -49.21 76.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.236 -0.915 . . . . 1.0 109.137 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -63.6 -41.43 98.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 1.0 108.752 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.35 -49.66 76.98 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.372 -0.83 . . . . 1.0 108.835 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.63 92.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.445 -0.784 . . . . 1.0 109.156 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.8 -47.37 69.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 1.0 109.804 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.5 t -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.369 -0.832 . . . . 1.0 110.155 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -59.87 -46.27 89.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.121 -0.987 . . . . 1.0 110.196 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -72.7 -41.2 65.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.027 -1.046 . . . . 1.0 110.434 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -58.48 -45.62 88.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.0 109.97 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -32.31 72.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.0 110.519 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -32.05 73.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.775 -1.203 . . . . 1.0 108.059 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 617' ' ' LEU . 43.7 mmm -68.57 -38.6 80.84 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.485 -0.931 . . . . 1.0 108.485 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.437 ' OE2' HD23 ' A' ' 617' ' ' LEU . 63.3 mm-40 -59.77 -49.6 77.08 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.88 -41.77 82.25 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.12 -0.632 . . . . 1.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.68 -40.36 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 1.0 109.876 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.939 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.3 m-85 -58.5 -43.17 88.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 1.0 109.831 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -69.93 -36.11 75.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.032 -1.042 . . . . 1.0 109.115 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 30.5 m -57.4 -41.1 79.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.885 . . . . 1.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.73 -36.4 83.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 1.0 109.706 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.515 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 76.6 t -61.23 -43.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.347 -0.846 . . . . 1.0 109.508 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.807 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.0 t -64.33 -46.23 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.047 -1.033 . . . . 1.0 108.409 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' HIS . . . . . 0.477 ' HB3' HD11 ' A' ' 677' ' ' LEU . 54.0 m-70 -58.73 -38.15 77.75 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.759 -1.201 . . . . 1.0 107.759 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.41 -49.11 12.35 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.378 -1.489 . . . . 1.0 109.378 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -55.92 -28.11 55.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.129 -1.218 . . . . 1.0 109.476 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 655' ' ' VAL . 79.6 t -63.53 -36.43 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 1.0 109.687 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 602' ' ' LEU . 4.0 tt -54.91 -38.09 67.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.0 109.516 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.84 . . . . 1.0 109.502 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.3 0.571 . . . . 1.0 110.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 66.9 mt -54.69 -24.77 23.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.366 -0.834 . . . . 1.0 109.693 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -65.87 -46.72 77.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.203 -0.936 . . . . 1.0 109.083 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.06 -38.87 73.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.373 -0.829 . . . . 1.0 109.629 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.49 -35.65 74.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 1.0 109.357 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.99 -34.92 73.97 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -71.65 -43.84 65.37 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 656' ' ' HIS . 10.7 mp -70.71 -47.58 59.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.952 -1.092 . . . . 1.0 108.798 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.02 -31.65 37.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.681 -1.229 . . . . 1.0 107.681 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.48 -47.52 48.0 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.518 -0.919 . . . . 1.0 108.518 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.08 -41.59 90.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 1.0 108.923 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.578 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.4 t -56.78 -32.88 66.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 1.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -72.11 -25.32 61.69 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.99 -1.069 . . . . 1.0 109.039 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.825 . . . . 1.0 111.394 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 613' ' ' VAL . 0.1 OUTLIER -62.78 -51.32 72.63 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.776 -1.202 . . . . 1.0 112.296 -177.228 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.61 ' HG3' HG21 ' A' ' 572' ' ' VAL . 24.3 Cg_exo -60.01 -44.28 30.86 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.98 1.787 . . . . 1.0 112.706 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.32 -40.54 93.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.031 -1.043 . . . . 1.0 108.454 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.38 -35.66 65.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.571 -0.706 . . . . 1.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.52 98.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.002 -1.061 . . . . 1.0 109.312 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -65.76 -41.89 91.54 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.17 -0.956 . . . . 1.0 109.427 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.26 -45.14 85.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.309 -0.869 . . . . 1.0 110.007 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.8 tp -59.32 -33.42 71.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.0 -1.062 . . . . 1.0 109.094 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.3 74.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.097 -1.075 . . . . 1.0 108.097 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 15.2 m -66.0 -41.09 91.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.543 -0.723 . . . . 1.0 109.503 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.07 -37.22 86.65 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.174 -0.954 . . . . 1.0 108.639 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.1 mp -60.01 -35.92 76.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 118.731 -1.187 . . . . 1.0 109.762 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 1.9 t-80 -66.84 -37.66 84.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.974 -1.079 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.7 -16.2 71.85 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 106.404 -2.678 . . . . 1.0 106.404 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.529 ' O ' ' N ' ' A' ' 702' ' ' LEU . 2.3 m120 -111.58 -1.66 15.71 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.747 0.784 . . . . 1.0 110.262 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.33 -22.12 17.83 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.735 0.779 . . . . 1.0 112.302 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 700' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 701' ' ' LEU . 22.8 t -83.63 -42.27 16.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 106.609 -1.626 . . . . 1.0 106.609 -176.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 701' ' ' LEU . 7.3 mp -98.44 -18.6 18.16 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.4 -1.438 . . . . 1.0 109.434 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 703' ' ' PHE . 47.8 tp -66.24 -32.14 73.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 1.0 111.504 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 702' ' ' LEU . 85.1 m-85 -118.69 -66.77 1.04 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.904 -1.123 . . . . 1.0 110.442 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 108.235 -1.024 . . . . 1.0 108.235 -179.238 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 553' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 556' ' ' VAL . 5.9 pt-20 . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 554' ' ' LEU . 3.5 mp -56.07 -42.58 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.345 -0.847 . . . . 1.0 110.055 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 1.0 110.068 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.446 ' H ' ' HG3' ' A' ' 553' ' ' GLU . 65.7 t -69.8 -44.41 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.819 -1.175 . . . . 1.0 108.18 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -60.49 -41.24 93.87 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.44 -0.787 . . . . 1.0 109.47 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -39.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 1.0 109.161 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' A' ' 563' ' ' ARG . 3.7 tt0 -72.13 -50.47 27.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.0 110.146 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' CE2' ' A' ' 619' ' ' PHE . 1.6 t -60.86 -42.53 98.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 1.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 560' ' ' THR . 5.0 tp -71.22 -39.68 71.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.856 -1.152 . . . . 1.0 109.113 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.83 93.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.369 -0.832 . . . . 1.0 109.234 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.513 ' NH2' ' OE2' ' A' ' 559' ' ' GLU . 95.8 mtt180 -61.32 -35.44 77.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.26 -0.9 . . . . 1.0 109.119 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.6 mp -71.67 -41.55 68.58 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.442 -0.786 . . . . 1.0 109.474 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.41 -31.52 70.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 1.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.83 -47.17 17.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.045 -1.034 . . . . 1.0 108.433 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.55 -33.4 86.39 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.666 -1.374 . . . . 1.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 564' ' ' LEU . 78.8 t -72.02 -47.88 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.263 . . . . 1.0 108.973 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 82.1 p -66.02 -37.66 86.45 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.14 -0.975 . . . . 1.0 108.489 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -42.32 99.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.687 -0.633 . . . . 1.0 110.14 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 609' ' ' VAL . 16.4 p -67.91 -34.09 75.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.0 110.753 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.777 HG13 ' OG ' ' A' ' 681' ' ' SER . 53.3 t -72.98 -35.54 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.618 -1.301 . . . . 1.0 109.17 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.6 83.64 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.015 -1.106 . . . . 1.0 108.015 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -57.17 -50.61 72.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 1.0 109.288 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 579' ' ' VAL . 56.2 tp -57.52 -48.25 79.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.913 . . . . 1.0 109.339 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.5 -39.08 88.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 1.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.6 -40.7 97.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 1.0 109.511 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' LEU . . . . . 0.449 HD11 ' OD2' ' A' ' 601' ' ' ASP . 6.4 tp -64.83 -36.25 83.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.321 -0.862 . . . . 1.0 109.545 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 575' ' ' LEU . 72.0 t . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 1.0 109.554 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 73.1 t . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.077 0.465 . . . . 1.0 110.051 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -58.78 -41.45 86.69 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 1.0 109.452 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.449 ' OD2' HD11 ' A' ' 578' ' ' LEU . 54.2 t0 -63.15 -47.27 83.4 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.271 -0.893 . . . . 1.0 109.415 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -43.68 59.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.363 -0.836 . . . . 1.0 109.25 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -59.25 -34.2 71.94 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 1.0 109.533 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.95 70.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 1.0 110.098 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.88 -47.52 65.67 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.141 -0.974 . . . . 1.0 110.308 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 2.5 m -70.12 -35.87 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.819 -1.176 . . . . 1.0 109.32 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -66.61 -39.91 88.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 1.0 109.048 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.57 29.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 1.0 110.412 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 571' ' ' THR . 2.4 p -62.43 -41.6 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.989 -1.07 . . . . 1.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.533 ' O ' HG12 ' A' ' 613' ' ' VAL . 61.2 t60 -67.39 -31.94 72.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 1.0 109.971 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 611' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.7 -45.32 45.17 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.937 -1.265 . . . . 1.0 109.937 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.38 -39.12 74.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.337 . . . . 1.0 109.52 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.821 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.3 p -63.47 -44.09 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 1.0 108.998 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 614' ' ' HIS . . . . . 0.57 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 1.8 t-80 -52.79 -29.62 28.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.211 -0.93 . . . . 1.0 108.569 177.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 59.3 mm-40 -64.12 -28.12 69.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 1.0 109.091 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.4 -38.78 88.27 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.594 -1.261 . . . . 1.0 107.594 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 650' ' ' TYR . 66.8 mt -59.66 -46.9 87.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.948 -1.13 . . . . 1.0 107.948 178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.44 -45.71 58.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 1.0 109.441 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.99 -46.74 83.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.203 -0.936 . . . . 1.0 108.632 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.71 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 621' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.3 -39.9 94.5 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.574 -0.704 . . . . 1.0 109.747 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.8 p -57.5 -41.17 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 1.0 108.894 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 702' ' ' LEU . . . -63.26 -43.85 96.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 1.0 109.675 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.439 HG21 HD22 ' A' ' 643' ' ' LEU . 91.2 t -65.71 -41.55 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.933 . . . . 1.0 109.683 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 1.0 109.594 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.145 0.497 . . . . 1.0 109.729 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.43 -40.51 78.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.907 . . . . 1.0 109.423 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -63.52 -44.95 92.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.076 -1.015 . . . . 1.0 108.57 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.06 78.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.416 -0.803 . . . . 1.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -38.25 79.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.377 -0.827 . . . . 1.0 109.601 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.12 -47.16 86.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 1.0 109.398 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.3 p -60.63 -41.88 95.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.0 109.382 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -64.22 -45.3 88.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 1.0 110.08 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.621 ' CD ' ' HZ1' ' A' ' 645' ' ' LYS . 99.5 mm-40 -73.59 -28.8 62.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.128 -0.982 . . . . 1.0 109.993 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.439 HD22 HG21 ' A' ' 624' ' ' VAL . 7.7 tp -67.21 -50.68 59.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.862 . . . . 1.0 110.079 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -62.46 -39.0 91.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.0 109.6 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 649' ' ' VAL . 7.2 ttpm? -64.9 -31.99 73.48 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.778 -1.193 . . . . 1.0 107.778 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 6.1 tpt -68.43 -36.69 79.42 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 647' ' ' GLU . . . . . 0.528 ' OE1' HD13 ' A' ' 617' ' ' LEU . 42.8 mm-40 -67.42 -50.79 57.9 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.604 0.716 . . . . 1.0 109.126 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -58.44 -41.17 84.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 645' ' ' LYS . 90.0 t -63.0 -36.54 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.796 . . . . 1.0 110.18 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.821 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.4 m-30 -62.46 -35.97 80.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.07 -1.019 . . . . 1.0 109.996 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.68 -35.17 78.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.94 -1.1 . . . . 1.0 109.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 57.7 m -59.69 -38.84 82.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -0.949 . . . . 1.0 109.395 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.509 HD22 ' SG ' ' A' ' 680' ' ' CYS . 26.2 mt -67.54 -37.59 82.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.89 . . . . 1.0 109.684 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.26 -43.54 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.122 -0.986 . . . . 1.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.7 t -63.35 -46.94 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.107 -0.996 . . . . 1.0 108.442 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -58.11 -40.17 80.53 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.84 -41.01 43.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -54.94 -21.02 10.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.236 . . . . 1.0 109.603 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 655' ' ' VAL . 91.4 t -62.62 -35.9 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.151 -0.968 . . . . 1.0 109.743 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 660' ' ' LEU . 3.8 mp -55.26 -33.32 63.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 1.0 109.308 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 60.6 t0 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 1.0 109.565 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.297 0.57 . . . . 1.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.39 -23.98 17.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 1.0 109.651 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -70.26 -45.1 67.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.179 -0.95 . . . . 1.0 109.186 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.53 -37.39 75.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.287 -0.883 . . . . 1.0 109.455 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 678' ' ' VAL . 7.7 tp -66.02 -35.68 81.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 1.0 109.449 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -57.93 -34.82 70.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.44 -1.319 . . . . 1.0 107.44 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -73.51 -39.72 64.6 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.76 -0.587 . . . . 1.0 109.6 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.2 tt -71.07 -49.56 43.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.946 -1.096 . . . . 1.0 108.936 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 678' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' A' ' 674' ' ' LEU . 56.0 t -56.24 -31.06 31.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 107.837 -1.171 . . . . 1.0 107.837 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.43 76.79 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 681' ' ' SER . 0.1 OUTLIER -66.51 -39.92 88.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 1.0 109.373 179.591 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.777 ' OG ' HG13 ' A' ' 572' ' ' VAL . 4.4 t -56.03 -33.44 64.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.268 -0.895 . . . . 1.0 110.437 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -75.86 -29.42 58.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.758 -1.214 . . . . 1.0 109.878 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.02 -46.42 62.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 1.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.429 HG23 HD11 ' A' ' 653' ' ' LEU . 0.9 OUTLIER -59.04 -49.75 91.56 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 121.031 -1.043 . . . . 1.0 112.197 -176.006 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.636 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.4 Cg_exo -65.14 -41.89 15.34 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.907 1.738 . . . . 1.0 112.887 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -67.24 -42.46 83.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.959 -1.088 . . . . 1.0 108.589 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 687' ' ' ASP . . . . . 0.637 ' OD1' HD23 ' A' ' 691' ' ' LEU . 58.1 t0 -74.58 -35.27 63.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 1.0 109.252 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.63 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 1.0 108.815 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -67.41 -40.73 85.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.462 -0.774 . . . . 1.0 109.522 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.85 -44.85 88.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 1.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 691' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 687' ' ' ASP . 2.1 mm? -59.41 -32.44 70.18 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.232 -0.917 . . . . 1.0 108.715 178.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 692' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -63.66 -32.62 74.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.0 108.776 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.3 m -66.12 -37.99 87.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.339 -0.851 . . . . 1.0 109.211 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.497 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -63.62 -40.65 97.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 109.002 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -62.1 -37.73 86.2 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.211 -0.931 . . . . 1.0 108.921 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 38.1 m80 -68.61 -44.77 73.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.432 -0.793 . . . . 1.0 110.365 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.64 -28.03 44.43 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 1.2 p30 -126.46 11.8 7.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.067 -1.255 . . . . 1.0 109.992 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.75 -32.46 63.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.072 -1.018 . . . . 1.0 109.243 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.0 p -52.56 -35.39 53.69 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.277 -0.89 . . . . 1.0 109.241 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 4.4 mp -88.39 -40.22 13.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.231 -0.918 . . . . 1.0 110.055 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 623' ' ' ALA . 54.1 mt -56.5 -33.53 66.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.968 -1.082 . . . . 1.0 108.367 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.9 m-85 -125.15 -71.83 0.69 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.399 -0.813 . . . . 1.0 109.48 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 30.2 ttm-85 . . . . . 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.941 . . . . 1.0 109.348 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.808 HD13 ' C ' ' A' ' 554' ' ' LEU . 2.9 tm? -54.85 -42.95 72.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.746 . . . . 1.0 109.961 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.41 -35.24 73.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 1.0 110.288 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.522 ' O ' ' OG1' ' A' ' 560' ' ' THR . 80.4 t -76.02 -39.0 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.667 -1.271 . . . . 1.0 107.815 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.87 79.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.956 -0.757 . . . . 1.0 108.956 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 24.9 m -71.09 -36.62 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 1.0 108.828 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.59 -51.86 17.92 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 1.0 109.984 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.11 -44.74 83.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.922 -1.111 . . . . 1.0 110.067 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.581 ' O ' ' NE2' ' A' ' 565' ' ' GLN . 1.0 OUTLIER -59.74 -40.47 88.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.021 -1.049 . . . . 1.0 109.406 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.81 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.29 -0.881 . . . . 1.0 109.855 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -35.95 81.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 1.0 109.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 568' ' ' VAL . 8.4 mp -69.23 -41.14 77.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.0 110.052 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' A' ' 561' ' ' LEU . 1.6 mp0 -61.39 -33.21 73.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 1.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -78.17 -46.15 21.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.173 -0.954 . . . . 1.0 108.648 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 571' ' ' THR . . . -65.0 -32.99 86.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.67 -1.372 . . . . 1.0 109.67 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.3 t -69.33 -49.29 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.043 -1.269 . . . . 1.0 108.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 30.0 m -67.15 -38.41 85.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.185 -0.947 . . . . 1.0 108.866 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 84.2 m -63.36 -43.77 96.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.461 -0.774 . . . . 1.0 109.739 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.4 p -67.47 -32.68 73.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 1.0 109.886 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.5 t -66.07 -37.7 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.252 -0.905 . . . . 1.0 109.566 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.68 82.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.092 -1.005 . . . . 1.0 108.671 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -62.51 -45.18 94.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.712 -0.618 . . . . 1.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 579' ' ' VAL . 6.0 tp -54.84 -44.54 74.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.337 -0.852 . . . . 1.0 109.561 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -41.42 65.73 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.378 -0.826 . . . . 1.0 109.196 178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -59.33 -41.52 89.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 1.0 109.215 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 1.0 109.412 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 575' ' ' LEU . 59.1 t . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.932 . . . . 1.0 109.53 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.23 0.538 . . . . 1.0 109.643 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -56.51 -43.38 79.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.92 . . . . 1.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.81 -42.51 99.75 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.376 -0.827 . . . . 1.0 109.148 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 602' ' ' LEU . 31.6 tp -70.25 -42.27 72.4 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.401 -0.812 . . . . 1.0 109.045 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.84 -35.39 78.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.338 -0.851 . . . . 1.0 109.831 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.95 75.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 110.019 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.61 87.25 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.902 . . . . 1.0 110.168 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 607' ' ' ALA . 5.3 p -68.97 -38.25 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.106 -0.996 . . . . 1.0 109.632 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -58.49 -35.39 72.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.253 -0.904 . . . . 1.0 109.555 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.08 84.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.937 . . . . 1.0 109.691 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 86.6 t -63.02 -44.23 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.071 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.697 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 19.9 m80 -63.43 -37.04 85.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.353 -0.842 . . . . 1.0 109.963 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.98 98.63 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.2 84.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.843 -1.387 . . . . 1.0 109.42 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' A' ' 650' ' ' TYR . 68.8 t -65.59 -46.2 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 1.0 109.382 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -53.72 -36.24 62.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.344 -0.848 . . . . 1.0 109.205 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.39 -35.5 77.67 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.59 HD22 ' HB1' ' A' ' 688' ' ' ALA . 55.0 tp -67.52 -41.04 85.02 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.48 -1.304 . . . . 1.0 107.48 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.47 98.4 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.923 -1.14 . . . . 1.0 107.923 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.73 -45.7 57.38 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.344 -0.848 . . . . 1.0 109.714 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.49 -48.0 79.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.161 -0.962 . . . . 1.0 108.864 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.41 91.87 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.236 -0.915 . . . . 1.0 108.628 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -42.45 89.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.533 -0.73 . . . . 1.0 109.706 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.7 p -58.18 -37.37 74.61 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.191 -0.943 . . . . 1.0 108.507 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.91 77.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 1.0 109.531 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 625' ' ' SER . 54.8 t -54.86 -48.26 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.274 -0.891 . . . . 1.0 109.68 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 624' ' ' VAL . 3.0 m . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.133 -0.979 . . . . 1.0 109.265 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.81 -45.3 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.0 109.496 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -62.94 -42.4 99.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.01 77.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.719 -0.845 . . . . 1.0 108.719 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -44.9 90.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.377 -0.827 . . . . 1.0 109.311 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 698' ' ' ASN . 2.5 tt -60.18 -46.61 89.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.0 109.623 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -57.48 -39.63 76.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 1.0 109.477 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -59.95 -45.6 92.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.838 . . . . 1.0 110.346 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.678 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 81.2 mt-30 -74.87 -31.31 61.57 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.877 -1.139 . . . . 1.0 110.416 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.31 -51.16 47.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.006 -1.059 . . . . 1.0 110.054 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -63.67 -36.0 82.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.011 -1.055 . . . . 1.0 109.008 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -64.06 -36.32 83.63 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.896 -1.15 . . . . 1.0 107.896 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 33.8 tpp -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.174 -1.046 . . . . 1.0 108.174 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.16 -52.03 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.57 0.7 . . . . 1.0 109.154 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' ASP . . . . . 0.733 ' O ' HG23 ' A' ' 652' ' ' THR . 13.3 t0 -65.65 -42.87 90.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.506 -0.746 . . . . 1.0 109.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 649' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 652' ' ' THR . 13.0 t -64.05 -45.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.378 -0.826 . . . . 1.0 109.965 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.718 ' CE1' HG11 ' A' ' 613' ' ' VAL . 22.3 t80 -70.31 -37.3 74.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.078 -1.014 . . . . 1.0 110.132 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -68.91 -32.62 72.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.832 -1.168 . . . . 1.0 109.403 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 648' ' ' ASP . 24.6 p -65.28 -34.82 79.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.06 -1.025 . . . . 1.0 108.793 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.729 HD21 ' CB ' ' A' ' 680' ' ' CYS . 6.0 mt -69.11 -36.69 77.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.511 -0.743 . . . . 1.0 109.362 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.63 -44.3 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.976 . . . . 1.0 109.27 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.4 t -68.54 -46.14 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -34.77 78.34 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 107.858 -1.164 . . . . 1.0 107.858 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.66 -49.4 18.61 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -56.86 -27.6 60.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.139 -1.212 . . . . 1.0 109.519 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' VAL . 76.4 t -64.93 -39.84 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.948 . . . . 1.0 109.688 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -50.61 -23.5 2.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 1.0 109.393 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 57.4 t0 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.437 179.804 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 670' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' A' ' 672' ' ' ASP . 76.9 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 674' ' ' LEU . 73.4 mt -56.28 -29.86 61.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.258 -0.901 . . . . 1.0 109.273 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 672' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 20.2 p-10 -66.6 -47.05 73.93 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.377 -0.827 . . . . 1.0 109.056 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 673' ' ' ASP . . . . . 0.553 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 1.6 m-20 -58.3 -31.62 67.68 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.463 -0.773 . . . . 1.0 109.46 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 671' ' ' LEU . 88.5 mt -63.47 -38.0 89.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.319 -0.863 . . . . 1.0 109.238 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -62.91 -35.35 79.78 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.157 -1.423 . . . . 1.0 107.157 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -72.59 -39.88 67.01 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.12 -45.8 66.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.0 108.323 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.36 -31.63 38.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.79 -1.189 . . . . 1.0 107.79 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.21 63.61 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.885 -0.784 . . . . 1.0 108.885 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.729 ' CB ' HD21 ' A' ' 653' ' ' LEU . 82.9 m -64.69 -37.24 86.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.856 . . . . 1.0 109.516 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.628 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 18.2 t -57.3 -35.78 70.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.359 -0.838 . . . . 1.0 111.464 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.413 HH11 ' HB2' ' A' ' 682' ' ' ARG . 18.7 mtp-105 -76.81 -26.9 54.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.354 -1.466 . . . . 1.0 110.464 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.42 54.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.075 -1.016 . . . . 1.0 111.651 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.3 OUTLIER -62.15 -44.11 88.01 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 120.415 -1.428 . . . . 1.0 112.508 -177.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.628 ' CD ' ' O ' ' A' ' 681' ' ' SER . 27.9 Cg_endo -62.46 -42.29 28.18 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.236 1.291 . . . . 1.0 112.1 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -38.23 84.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.319 -0.863 . . . . 1.0 109.146 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.93 -31.97 63.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.1 -41.5 92.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.201 -0.937 . . . . 1.0 108.809 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.25 95.81 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.445 -0.785 . . . . 1.0 109.963 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -72.56 -42.79 64.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.0 109.922 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.33 -35.61 74.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 1.0 108.434 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.07 79.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.381 -0.824 . . . . 1.0 108.874 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.1 m -65.93 -39.03 90.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.172 -0.955 . . . . 1.0 109.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.678 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.9 -38.01 87.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.0 108.812 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.9 mp -60.65 -37.08 80.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.189 -1.041 . . . . 1.0 108.189 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -48.71 70.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.559 -0.713 . . . . 1.0 110.145 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.13 57.92 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.49 7.6 13.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.944 -1.327 . . . . 1.0 109.602 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.5 -30.22 29.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.144 -0.972 . . . . 1.0 109.364 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 83.3 p -58.35 -39.41 79.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.0 109.582 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 701' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 701' ' ' LEU . 96.8 mt -88.62 -43.58 11.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.938 . . . . 1.0 110.313 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.08 -33.91 58.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.002 -1.061 . . . . 1.0 108.434 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.38 -101.71 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 1.0 109.414 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.451 -0.781 . . . . 1.0 110.124 -179.559 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.75 -34.9 70.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.525 -0.734 . . . . 1.0 110.423 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.57 -40.4 92.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 1.0 110.448 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 560' ' ' THR . 90.2 t -73.37 -41.77 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.475 -1.391 . . . . 1.0 107.777 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.73 91.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.371 -0.831 . . . . 1.0 109.497 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -33.78 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.29 -0.881 . . . . 1.0 110.442 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.73 -50.99 15.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.82 -1.175 . . . . 1.0 110.063 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.46 HG23 ' NH2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -63.16 -41.76 99.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.428 -0.795 . . . . 1.0 109.669 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.56 -40.35 94.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.216 -0.928 . . . . 1.0 109.476 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.11 -34.29 68.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.505 -0.747 . . . . 1.0 109.917 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.46 ' NH2' HG23 ' A' ' 560' ' ' THR . 50.3 mtm180 -64.58 -39.31 93.5 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.121 -0.987 . . . . 1.0 108.61 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.0 mp -61.75 -44.02 97.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.68 -0.638 . . . . 1.0 110.067 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -61.2 -35.37 76.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.315 -0.865 . . . . 1.0 109.746 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.65 -49.39 13.28 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.202 -0.937 . . . . 1.0 108.653 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.87 -33.36 85.13 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 564' ' ' LEU . 85.2 t -72.78 -49.56 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.987 -1.302 . . . . 1.0 108.733 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.1 p -66.76 -38.48 86.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -0.969 . . . . 1.0 109.059 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 89.0 m -62.01 -41.22 97.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.423 -0.798 . . . . 1.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 61.6 p -66.81 -33.12 74.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.134 -0.979 . . . . 1.0 109.688 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.657 HG13 ' OG ' ' A' ' 681' ' ' SER . 76.9 t -67.69 -38.04 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.0 109.22 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.87 90.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 1.0 109.245 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -58.51 -50.75 72.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.232 -0.918 . . . . 1.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.2 tt -55.87 -48.07 76.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.256 -0.903 . . . . 1.0 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.96 -38.97 72.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 1.0 109.397 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.48 -39.1 89.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 1.0 109.093 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.4 -37.99 74.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.806 . . . . 1.0 109.555 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 575' ' ' LEU . 78.3 t . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.0 109.506 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.77 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.099 -1.001 . . . . 1.0 108.869 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.48 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.368 -0.833 . . . . 1.0 109.178 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 674' ' ' LEU . 1.1 tp -74.38 -42.77 58.74 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.338 -0.851 . . . . 1.0 108.923 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.534 -0.729 . . . . 1.0 109.342 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.25 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 1.0 110.142 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.43 56.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.158 -0.964 . . . . 1.0 110.146 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 610' ' ' HIS . 10.7 p -68.34 -36.7 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.987 -1.071 . . . . 1.0 109.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -63.6 -35.58 80.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.0 109.669 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.4 -50.76 66.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 1.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.99 -43.13 97.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.538 -0.726 . . . . 1.0 109.321 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.68 ' CD2' HG22 ' A' ' 606' ' ' VAL . 13.2 m-70 -63.5 -40.81 98.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 1.0 109.762 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.99 -41.43 99.42 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 110.053 -1.219 . . . . 1.0 110.053 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.93 73.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.858 -1.378 . . . . 1.0 109.669 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.941 HG11 ' CD1' ' A' ' 650' ' ' TYR . 77.0 t -63.95 -46.7 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.0 109.081 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -36.22 50.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.85 . . . . 1.0 108.948 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.55 74.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.234 -0.916 . . . . 1.0 108.986 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -71.03 -44.12 66.48 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.84 -1.17 . . . . 1.0 107.84 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -42.73 95.71 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.921 -1.14 . . . . 1.0 107.921 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.98 -45.14 62.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.0 110.186 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.75 -47.55 83.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.966 -1.084 . . . . 1.0 108.911 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.09 92.93 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.15 -45.92 92.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.546 -0.721 . . . . 1.0 109.92 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.1 t -59.12 -38.94 80.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.177 -0.952 . . . . 1.0 108.938 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.98 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.0 109.872 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 643' ' ' LEU . 98.3 t -64.13 -42.62 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 1.0 109.462 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.329 -0.857 . . . . 1.0 109.971 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.611 -0.515 . . . . 1.0 109.611 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 697' ' ' GLY . 67.6 mt -59.13 -46.55 88.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.0 109.43 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.0 -46.03 90.82 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.226 -1.027 . . . . 1.0 108.226 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.621 -0.881 . . . . 1.0 108.621 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.65 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.573 -0.705 . . . . 1.0 109.83 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.93 -47.27 85.65 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.273 -0.892 . . . . 1.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 82.8 p -59.16 -47.35 85.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0 109.506 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -64.07 -43.3 95.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.592 -0.693 . . . . 1.0 109.702 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -30.06 67.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 1.0 110.113 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 624' ' ' VAL . 29.1 tp -66.62 -50.53 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 1.0 110.186 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.81 -37.78 88.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.139 -0.976 . . . . 1.0 108.963 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -63.69 -34.05 77.01 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.026 -1.102 . . . . 1.0 108.026 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 646' ' ' MET . 0.0 OUTLIER -68.1 -37.88 81.69 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.652 -0.87 . . . . 1.0 108.652 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.44 -51.59 65.05 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.696 0.76 . . . . 1.0 109.072 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.17 -43.39 87.02 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.74 -0.6 . . . . 1.0 109.502 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.11 -45.01 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 1.0 110.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.941 ' CD1' HG11 ' A' ' 613' ' ' VAL . 29.9 t80 -69.82 -34.46 73.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.03 -1.044 . . . . 1.0 109.777 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -72.89 -40.1 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.015 -1.053 . . . . 1.0 109.817 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 85.1 m -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.012 . . . . 1.0 109.885 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 49.5 mt -71.77 -34.38 69.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.038 . . . . 1.0 110.087 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.9 t -60.72 -43.59 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 1.0 109.251 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 659' ' ' VAL . 79.3 t -67.36 -44.28 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.913 -1.117 . . . . 1.0 108.609 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.75 -40.16 87.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 107.145 -1.428 . . . . 1.0 107.145 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.55 16.0 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.646 -1.382 . . . . 1.0 109.646 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -59.35 -28.25 66.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.136 -1.214 . . . . 1.0 110.415 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 655' ' ' VAL . 54.1 t -63.85 -37.8 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 1.0 109.885 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 660' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.68 -30.16 20.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.0 109.648 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 54.9 t0 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.282 -0.886 . . . . 1.0 109.674 179.814 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 671' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 671' ' ' LEU . 4.0 mm? -62.68 -28.29 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 1.0 109.445 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -67.84 -45.53 74.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.286 -0.884 . . . . 1.0 109.411 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 673' ' ' ASP . . . . . 0.504 ' OD2' ' NH2' ' A' ' 676' ' ' ARG . 5.4 t0 -56.93 -36.77 70.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.241 -0.912 . . . . 1.0 109.543 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 674' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 602' ' ' LEU . 6.3 mt -62.73 -41.27 99.09 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 1.0 109.692 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -57.7 -36.7 72.34 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.788 -1.189 . . . . 1.0 107.788 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' ARG . . . . . 0.504 ' NH2' ' OD2' ' A' ' 673' ' ' ASP . 24.2 ttp-105 -72.71 -39.89 66.61 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.371 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 677' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.9 tt -70.79 -49.35 47.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.071 -1.018 . . . . 1.0 108.836 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.82 -31.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 679' ' ' ALA . . . . . 0.461 ' O ' ' NH1' ' A' ' 682' ' ' ARG . . . -69.01 -39.43 79.31 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.549 -0.719 . . . . 1.0 109.149 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -43.95 71.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.657 ' OG ' HG13 ' A' ' 572' ' ' VAL . 7.4 t -57.88 -33.07 68.32 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.094 -1.004 . . . . 1.0 111.03 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 679' ' ' ALA . 14.4 ptt-85 -77.59 -30.63 52.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.445 -1.409 . . . . 1.0 109.594 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -67.54 -46.99 71.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.125 -0.984 . . . . 1.0 110.719 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -55.58 -54.01 56.11 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.055 -1.028 . . . . 1.0 112.315 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.0 Cg_endo -61.98 -42.92 27.49 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.016 1.81 . . . . 1.0 112.758 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -68.33 -44.02 76.25 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.125 -0.984 . . . . 1.0 108.465 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.78 -33.92 68.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -0.808 . . . . 1.0 109.051 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -59.21 -40.22 85.12 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.13 -0.981 . . . . 1.0 108.469 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -68.17 -44.99 74.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.556 -0.715 . . . . 1.0 109.396 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.12 -46.21 71.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.345 -0.847 . . . . 1.0 109.423 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -32.35 68.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.174 -0.954 . . . . 1.0 108.445 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.28 -31.93 73.32 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.373 -0.829 . . . . 1.0 109.19 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.8 t -66.22 -37.15 84.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.337 -0.852 . . . . 1.0 110.318 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.417 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.1 m-85 -63.73 -40.64 97.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.841 -1.162 . . . . 1.0 108.906 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 702' ' ' LEU . 4.3 mm? -62.24 -37.8 86.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.319 -0.863 . . . . 1.0 109.143 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 34.8 m170 -71.65 -44.12 64.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.248 -0.908 . . . . 1.0 110.874 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 697' ' ' GLY . . . . . 0.52 ' C ' HD13 ' A' ' 635' ' ' LEU . . . -54.74 -27.76 44.36 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 695' ' ' LEU . 2.3 p30 -116.55 10.96 14.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -1.115 . . . . 1.0 109.788 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.45 -31.44 61.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.981 . . . . 1.0 109.825 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 700' ' ' SER . . . . . 0.403 ' O ' ' CA ' ' A' ' 704' ' ' ARG . 83.5 p -58.5 -39.36 79.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.063 -1.023 . . . . 1.0 108.728 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 97.8 mt -87.97 -46.34 9.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 1.0 110.429 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 695' ' ' LEU . 71.1 mt -55.6 -32.89 63.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.821 -1.174 . . . . 1.0 108.9 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.558 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 10.0 m-85 -125.67 -66.68 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.128 -0.982 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.3 -0.875 . . . . 1.0 109.525 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 54.0 mp0 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 558' ' ' VAL . 2.5 pp -61.21 -35.71 77.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.105 -0.997 . . . . 1.0 110.509 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.76 -36.86 83.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.949 -1.094 . . . . 1.0 110.418 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' VAL . . . . . 0.512 ' O ' ' OG1' ' A' ' 560' ' ' THR . 72.2 t -77.45 -43.58 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.721 -1.237 . . . . 1.0 107.708 178.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 703' ' ' PHE . . . -59.11 -43.94 91.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.542 -0.724 . . . . 1.0 109.562 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 554' ' ' LEU . 13.8 m -70.41 -31.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 1.0 109.389 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.46 -47.98 37.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 1.0 109.925 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.8 -42.27 97.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.929 -1.107 . . . . 1.0 109.591 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -57.57 -34.38 69.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.092 -1.005 . . . . 1.0 109.198 179.186 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.47 84.06 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.443 -0.785 . . . . 1.0 109.548 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -61.84 -36.09 80.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.257 -0.902 . . . . 1.0 108.897 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -61.57 -40.85 96.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.455 -0.778 . . . . 1.0 109.215 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.07 -33.75 73.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.307 -0.87 . . . . 1.0 109.692 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -79.06 -51.16 9.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.992 -1.068 . . . . 1.0 108.497 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.49 -34.84 91.05 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 564' ' ' LEU . 79.2 t -71.05 -48.62 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -1.21 . . . . 1.0 108.887 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.0 p -66.81 -37.15 83.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.268 -0.895 . . . . 1.0 109.043 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 95.2 m -65.5 -44.29 87.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.633 -0.667 . . . . 1.0 110.904 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 571' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 567' ' ' GLY . 54.5 p -69.49 -35.21 75.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.024 -1.047 . . . . 1.0 110.355 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' VAL . . . . . 0.478 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 85.4 t -70.03 -37.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.898 -1.126 . . . . 1.0 109.563 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.13 82.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.169 -0.957 . . . . 1.0 108.647 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -58.7 -48.82 79.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 1.0 109.433 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.0 tp -57.34 -48.24 79.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.42 -0.8 . . . . 1.0 109.129 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -40.3 74.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.521 -0.737 . . . . 1.0 109.148 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -43.07 99.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 1.0 109.101 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 36.5 tp -64.34 -43.34 94.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.308 -0.87 . . . . 1.0 109.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.161 -0.962 . . . . 1.0 109.556 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.096 0.474 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.1 -45.73 91.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.041 -1.037 . . . . 1.0 109.694 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 602' ' ' LEU . 2.9 p30 -63.16 -35.42 80.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.349 -0.844 . . . . 1.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.609 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.0 tt -77.28 -43.14 34.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 1.0 108.994 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -68.27 -39.11 82.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.347 -0.846 . . . . 1.0 109.522 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.03 -34.09 74.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 1.0 109.813 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.64 77.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.16 -0.962 . . . . 1.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.22 -36.52 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.975 -1.078 . . . . 1.0 109.507 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.61 75.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.72 95.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 1.0 109.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 1.2 t -61.8 -43.7 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 1.0 109.278 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 614' ' ' HIS . 4.9 m80 -59.24 -29.04 67.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 1.0 109.319 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -67.62 -43.89 84.02 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.08 76.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.812 -1.405 . . . . 1.0 110.277 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' VAL . . . . . 0.568 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.1 OUTLIER -72.11 -43.27 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 614' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 610' ' ' HIS . 2.1 m-70 -55.01 -37.03 66.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 1.0 108.977 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.49 66.41 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.366 -0.976 . . . . 1.0 108.366 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' LEU . . . . . 0.639 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.5 tt -70.4 -44.76 67.32 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.379 -0.971 . . . . 1.0 108.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.938 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -60.77 -35.73 77.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.367 -0.833 . . . . 1.0 108.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.46 -44.2 65.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.186 -0.946 . . . . 1.0 109.897 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 619' ' ' PHE . . . . . 0.564 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.7 m-85 -62.56 -45.81 91.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.031 -1.043 . . . . 1.0 109.132 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.5 -38.63 90.67 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -42.11 73.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.713 -0.617 . . . . 1.0 109.651 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.6 t -60.64 -46.48 90.15 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.24 -0.913 . . . . 1.0 108.775 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.8 80.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.409 -0.807 . . . . 1.0 109.373 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 620' ' ' ALA . 76.0 t -60.99 -48.14 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.454 -0.779 . . . . 1.0 109.803 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 624' ' ' VAL . 9.4 p . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.92 . . . . 1.0 109.675 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 635' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 635' ' ' LEU . 9.6 mp -60.37 -47.32 86.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.2 -0.937 . . . . 1.0 109.211 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -61.88 -46.13 90.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.209 -0.932 . . . . 1.0 108.514 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.79 75.12 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.782 -0.821 . . . . 1.0 108.782 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 638' ' ' LYS . . . . . 0.526 ' HZ2' ' HB2' ' A' ' 638' ' ' LYS . 0.0 OUTLIER -63.77 -38.29 90.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 1.0 109.157 178.232 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 639' ' ' LEU . . . . . 0.515 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.8 tt -59.81 -47.45 85.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 1.0 109.484 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 24.5 m -57.91 -41.91 83.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.873 . . . . 1.0 109.755 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.01 -45.31 95.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 1.0 109.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 642' ' ' GLN . . . . . 0.687 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 85.4 mt-30 -72.69 -30.5 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 1.0 110.159 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -50.84 61.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.129 -0.982 . . . . 1.0 109.304 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.89 -36.21 83.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -0.925 . . . . 1.0 108.849 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -63.03 -35.02 78.82 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.664 -1.235 . . . . 1.0 107.664 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 3.4 tpt -70.06 -37.65 75.55 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.383 -0.969 . . . . 1.0 108.383 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.14 -49.82 74.33 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.667 0.746 . . . . 1.0 109.081 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.72 -42.71 68.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.668 -0.645 . . . . 1.0 109.955 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.47 -36.0 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 1.0 109.628 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.938 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.1 m-85 -62.3 -51.68 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 1.0 109.796 -179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -68.81 -36.84 78.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 1.0 109.549 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 84.8 m -57.71 -41.49 81.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.207 -0.933 . . . . 1.0 109.182 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.774 HD21 ' CB ' ' A' ' 680' ' ' CYS . 41.9 mt -69.26 -41.56 76.74 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 1.0 109.179 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.83 -44.1 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -0.863 . . . . 1.0 109.989 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.6 -46.43 89.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.975 -1.078 . . . . 1.0 108.444 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.58 -41.49 90.33 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.277 -1.008 . . . . 1.0 108.277 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.9 -44.55 55.49 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -58.03 -40.12 80.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.01 -1.288 . . . . 1.0 109.452 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.91 -34.46 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -0.843 . . . . 1.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.71 -32.55 63.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.939 -1.101 . . . . 1.0 109.208 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 63.5 t0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 1.0 109.6 -179.852 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 670' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 671' ' ' LEU . 1.4 t . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.2 0.524 . . . . 1.0 109.651 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' LEU . . . . . 0.488 ' H ' HG23 ' A' ' 670' ' ' THR . 2.5 mm? -62.2 -26.82 68.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.0 109.211 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 672' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 22.6 p-10 -67.28 -43.06 82.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 1.0 109.517 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 673' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 0.2 OUTLIER -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 1.0 109.684 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.08 -43.63 74.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 1.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.06 -37.96 78.28 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.521 -1.288 . . . . 1.0 107.521 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -71.45 -40.28 70.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.703 -0.623 . . . . 1.0 109.504 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.12 -49.39 44.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.052 -1.03 . . . . 1.0 108.673 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.98 -32.91 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.08 -46.81 66.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.481 -0.762 . . . . 1.0 109.238 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.774 ' CB ' HD21 ' A' ' 653' ' ' LEU . 77.6 m -65.75 -39.43 91.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.27 -0.894 . . . . 1.0 109.691 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 0.1 OUTLIER -54.65 -34.32 62.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.193 -0.942 . . . . 1.0 110.575 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -78.8 -28.48 44.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.657 -1.277 . . . . 1.0 109.674 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.42 63.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.135 -0.978 . . . . 1.0 110.446 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 684' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -60.45 -50.05 87.41 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.157 -0.965 . . . . 1.0 112.338 -175.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.8 Cg_exo -65.38 -41.93 14.41 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.604 1.536 . . . . 1.0 112.678 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -40.09 92.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.909 -1.119 . . . . 1.0 108.682 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -75.77 -35.88 60.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.516 -0.74 . . . . 1.0 109.586 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.06 95.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.1 . . . . 1.0 108.87 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.433 -0.792 . . . . 1.0 109.376 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.82 -43.04 72.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 1.0 108.922 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.69 -36.2 78.18 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -35.87 77.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 1.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.4 m -68.15 -35.16 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 1.0 109.726 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.2 m-30 -65.03 -42.13 94.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 1.0 108.789 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.9 mp -62.76 -35.62 80.41 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.251 -0.906 . . . . 1.0 108.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 52.3 m170 -70.48 -40.68 73.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -0.81 . . . . 1.0 109.654 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.68 -26.17 64.48 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.166 -1.574 . . . . 1.0 109.166 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 698' ' ' ASN . . . . . 0.515 HD21 ' CD1' ' A' ' 639' ' ' LEU . 30.7 p30 -119.34 3.29 11.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.464 -1.021 . . . . 1.0 109.531 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -49.74 -39.89 39.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 1.0 109.396 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 700' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 704' ' ' ARG . 36.4 m -51.22 -35.23 35.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.223 -0.923 . . . . 1.0 109.72 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 95.0 mt -87.29 -41.07 13.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 1.0 110.796 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 702' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 698' ' ' ASN . 25.8 mt -56.43 -32.96 65.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.878 -1.139 . . . . 1.0 108.864 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 703' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 557' ' ' ALA . 8.8 m-85 -116.53 -75.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 1.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 704' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 700' ' ' SER . 60.6 ttt-85 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.328 -0.858 . . . . 1.0 109.256 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 547' ' ' SER . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.423 2.529 . . . . 1.0 119.423 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 546' ' ' GLY . 8.1 m 48.96 94.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -1.15 . . . . 1.0 109.498 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -53.91 -34.29 51.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.627 -1.389 . . . . 1.0 109.627 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -80.71 137.6 36.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.318 -1.107 . . . . 1.0 109.547 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.58 154.74 71.29 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 1.0 109.553 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.96 154.93 71.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.904 2.403 . . . . 1.0 112.3 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 12.6 mt -103.95 145.21 30.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.831 . . . . 1.0 109.191 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.07 160.46 15.29 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.306 -0.871 . . . . 1.0 109.116 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.482 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.6 tp -57.71 -41.28 81.43 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.251 -0.906 . . . . 1.0 109.561 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.14 -41.02 97.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.118 -0.989 . . . . 1.0 109.799 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.518 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.5 t -69.87 -47.0 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.647 -1.242 . . . . 1.0 107.647 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.47 82.25 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.523 -0.918 . . . . 1.0 108.523 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.0 t -70.3 -39.27 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.391 -0.818 . . . . 1.0 108.962 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.88 -51.93 23.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.38 -0.825 . . . . 1.0 110.164 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.3 OUTLIER -62.95 -45.97 89.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.899 -1.125 . . . . 1.0 109.944 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.89 -38.27 85.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.92 -1.113 . . . . 1.0 109.79 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.79 -35.23 70.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.0 109.732 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -65.01 -39.48 93.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 1.0 108.897 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.6 mp -61.81 -42.82 99.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.569 -0.707 . . . . 1.0 109.919 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.88 -34.54 76.22 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 1.0 109.717 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -77.85 -48.55 16.2 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.791 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.54 -33.15 83.83 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 572' ' ' VAL . 52.3 t -74.86 -48.75 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.135 -1.215 . . . . 1.0 108.603 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 24.3 t -64.67 -31.68 73.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.278 -0.889 . . . . 1.0 108.757 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 574' ' ' HIS . 59.8 m -76.04 -40.54 53.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.627 -0.67 . . . . 1.0 109.606 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 567' ' ' GLY . 30.7 p -69.18 -45.41 70.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 1.0 109.472 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 568' ' ' VAL . 26.6 m -60.58 -34.76 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 1.0 109.091 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 572' ' ' VAL . . . -59.13 -37.61 77.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 570' ' ' THR . 3.2 m-70 -60.45 -43.61 96.7 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.601 -0.687 . . . . 1.0 109.673 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.5 tp -54.61 -45.4 73.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 1.0 109.836 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -36.48 71.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 1.0 109.38 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -63.63 -37.97 89.34 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.22 -0.925 . . . . 1.0 109.263 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.45 -35.83 68.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0 109.525 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 575' ' ' LEU . 56.4 t -56.5 -38.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 1.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -53.78 -38.15 58.83 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.512 -1.435 . . . . 1.0 109.512 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 90.6 p -65.65 -22.65 66.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.269 -1.136 . . . . 1.0 109.612 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -85.1 24.96 1.02 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 1.0 109.444 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 50.1 m -57.0 -36.8 70.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 1.0 109.502 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -145.46 165.46 27.89 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.51 -1.436 . . . . 1.0 109.51 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.21 -23.74 66.15 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.921 2.414 . . . . 1.0 112.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 78.8 125.02 0.4 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.579 -1.408 . . . . 1.0 109.579 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 85.84 177.83 50.16 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.556 -1.418 . . . . 1.0 109.556 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 588' ' ' TRP . 0.0 OUTLIER -94.48 -62.98 1.23 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.25 -1.147 . . . . 1.0 109.364 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -123.28 142.2 51.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 1.0 109.398 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 591' ' ' THR . 15.3 t -149.42 58.62 1.01 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.203 -0.936 . . . . 1.0 109.473 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 590' ' ' SER . 39.0 p 46.27 -169.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.894 . . . . 1.0 109.447 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.0 p -69.49 160.21 31.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 1.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 48.35 69.75 2.51 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 1.0 109.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.91 -24.99 33.77 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.799 2.332 . . . . 1.0 112.141 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -98.61 141.62 31.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -0.956 . . . . 1.0 109.199 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 2.0 mt-10 176.43 -46.85 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 121.311 -0.868 . . . . 1.0 110.096 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 23.1 Cg_exo -56.79 -43.44 54.57 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.217 1.945 . . . . 1.0 113.857 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.43 ' HD2' ' H ' ' A' ' 596' ' ' GLU . 84.0 Cg_endo -81.53 10.68 3.36 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.73 1.62 . . . . 1.0 112.157 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 596' ' ' GLU . 45.1 t -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.383 -0.823 . . . . 1.0 109.842 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.71 -41.95 78.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.175 -0.953 . . . . 1.0 109.45 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.304 -0.872 . . . . 1.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 606' ' ' VAL . 32.9 tp -71.84 -43.49 65.45 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.382 -0.824 . . . . 1.0 109.084 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.88 -34.5 76.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.372 -0.83 . . . . 1.0 109.92 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.08 -40.33 68.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.894 . . . . 1.0 110.54 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.53 -46.62 59.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.029 -1.044 . . . . 1.0 110.252 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 607' ' ' ALA . 11.7 p -62.14 -40.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.976 -1.078 . . . . 1.0 109.38 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.473 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -69.54 -35.47 75.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0 109.506 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.3 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 1.0 109.73 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.486 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.5 OUTLIER -62.39 -42.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.112 -0.993 . . . . 1.0 109.158 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.688 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 24.6 m170 -63.06 -37.92 89.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 1.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.41 -41.18 96.91 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.61 77.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.909 -1.348 . . . . 1.0 109.746 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.625 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.7 t -65.79 -47.12 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 1.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.19 -38.23 62.65 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.401 -0.963 . . . . 1.0 108.401 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.11 -32.32 72.0 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.227 -1.027 . . . . 1.0 108.227 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.673 ' CD1' ' HB1' ' A' ' 688' ' ' ALA . 2.4 tt -71.06 -42.42 69.45 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.603 -1.258 . . . . 1.0 107.603 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -40.88 94.5 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.765 -1.198 . . . . 1.0 107.765 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.12 -45.15 61.68 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.354 -0.841 . . . . 1.0 109.7 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -61.75 -47.81 83.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 1.0 109.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -63.17 -38.58 91.73 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.412 -0.958 . . . . 1.0 108.412 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -47.42 83.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.747 -0.596 . . . . 1.0 109.809 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 49.4 m -58.83 -42.04 88.31 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 1.0 109.317 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.95 78.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 1.0 109.644 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 620' ' ' ALA . 62.3 t -60.58 -38.1 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 1.0 109.481 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 34.1 p -67.33 166.05 15.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 1.0 109.465 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.25 6.43 1.01 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 1.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -92.48 114.64 27.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.252 -0.905 . . . . 1.0 109.197 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.537 ' O ' ' ND1' ' A' ' 629' ' ' HIS . 6.2 t -142.93 145.98 33.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.345 -0.847 . . . . 1.0 109.878 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 628' ' ' THR . 0.1 OUTLIER 176.1 99.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 1.0 109.423 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 49.3 m -61.58 -34.95 76.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 1.0 109.435 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 80.6 p -59.17 -33.49 70.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.912 . . . . 1.0 109.409 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 629' ' ' HIS . 88.4 m-20 -113.22 156.59 23.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 1.0 109.258 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -164.49 -28.76 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.807 . . . . 1.0 109.674 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 72.6 p -64.36 -36.51 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.161 -0.962 . . . . 1.0 109.317 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.13 -47.3 83.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 1.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -61.04 -44.16 97.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.044 -1.035 . . . . 1.0 108.482 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.53 73.32 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -63.95 -44.9 91.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.0 109.805 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.429 HD21 HG22 ' A' ' 624' ' ' VAL . 23.3 tp -69.36 -47.33 64.65 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.896 . . . . 1.0 109.676 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 19.4 m -60.88 -42.12 97.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 1.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -60.15 -46.68 88.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.254 -0.904 . . . . 1.0 109.677 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -75.12 -36.82 61.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 1.0 109.966 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.32 -48.88 54.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.292 -0.88 . . . . 1.0 109.879 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 645' ' ' LYS . 11.6 pt20 -63.74 -35.23 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.043 . . . . 1.0 108.842 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.493 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.69 -37.11 86.13 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.713 -1.218 . . . . 1.0 107.713 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 27.0 tpp -67.96 -38.57 82.93 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.99 -51.51 68.94 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.986 -0.746 . . . . 1.0 108.986 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ASP . . . . . 0.64 ' O ' HG23 ' A' ' 652' ' ' THR . 29.5 t0 -64.23 -40.68 96.55 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.542 -0.724 . . . . 1.0 109.431 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.4 t -70.55 -35.21 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.326 -0.859 . . . . 1.0 109.81 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.688 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 14.5 t80 -68.86 -39.73 79.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.0 109.909 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.87 -29.76 65.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.89 -1.132 . . . . 1.0 109.464 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 648' ' ' ASP . 37.0 p -66.2 -37.1 84.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 1.0 110.508 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 680' ' ' CYS . 9.4 mt -73.46 -33.79 65.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.77 -1.206 . . . . 1.0 109.87 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.59 -43.13 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 1.0 109.067 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -68.67 -43.86 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.046 -1.034 . . . . 1.0 108.523 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -65.43 -37.93 88.38 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.485 -1.302 . . . . 1.0 107.485 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.48 -44.12 42.51 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -57.0 -31.36 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.036 -1.273 . . . . 1.0 108.685 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 655' ' ' VAL . 80.0 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.35 -0.844 . . . . 1.0 108.936 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.3 OUTLIER -65.19 -28.94 69.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.291 -0.88 . . . . 1.0 109.241 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.427 ' N ' ' HG ' ' A' ' 660' ' ' LEU . 55.7 t0 -63.85 -43.0 97.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.416 -0.803 . . . . 1.0 109.556 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 76.7 p -156.87 170.17 23.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.137 -0.977 . . . . 1.0 109.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -152.31 136.8 5.58 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -59.43 -32.78 70.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -1.148 . . . . 1.0 109.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -74.99 171.73 53.71 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -54.77 -73.85 0.37 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.406 -1.478 . . . . 1.0 109.406 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.66 145.12 56.74 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 123.001 2.467 . . . . 1.0 112.413 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -87.98 -73.13 1.28 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.07 165.87 27.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -1.153 . . . . 1.0 109.513 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 25.7 p -104.8 167.78 9.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 1.0 108.918 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.75 -26.03 63.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 1.0 108.631 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.68 -48.52 81.34 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 1.0 109.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' A' ' 676' ' ' ARG . 75.9 m-20 -55.81 -35.42 66.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.38 -0.825 . . . . 1.0 110.069 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.7 -34.73 77.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 1.0 109.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.08 -36.47 79.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.525 -1.287 . . . . 1.0 107.525 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' A' ' 673' ' ' ASP . 87.7 mtm-85 -75.05 -36.69 61.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.697 -0.627 . . . . 1.0 109.497 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.76 -46.75 71.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.966 -1.084 . . . . 1.0 108.705 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.528 HG12 ' HE ' ' A' ' 682' ' ' ARG . 79.3 t -58.49 -31.06 42.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.77 -46.88 51.03 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.54 -0.725 . . . . 1.0 109.501 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 653' ' ' LEU . 59.2 m -67.35 -37.94 84.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.121 -0.987 . . . . 1.0 109.41 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.618 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -57.01 -34.73 68.46 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 1.0 110.416 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.528 ' HE ' HG12 ' A' ' 678' ' ' VAL . 0.0 OUTLIER -73.04 -25.8 61.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.87 -1.144 . . . . 1.0 110.551 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.69 -42.47 67.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.98 -1.075 . . . . 1.0 111.657 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.563 HG11 HG21 ' A' ' 613' ' ' VAL . 2.1 t -60.28 -51.73 78.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 1.0 112.192 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.618 ' CD ' ' O ' ' A' ' 681' ' ' SER . 36.7 Cg_endo -65.82 -37.43 27.55 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.011 1.807 . . . . 1.0 112.955 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.36 -38.19 79.79 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.882 -1.136 . . . . 1.0 108.01 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -72.14 -30.05 64.64 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' ALA . . . . . 0.673 ' HB1' ' CD1' ' A' ' 616' ' ' LEU . . . -59.68 -43.4 94.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.21 -0.932 . . . . 1.0 108.693 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.19 -43.34 87.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.444 -0.785 . . . . 1.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.23 -42.0 89.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.943 -1.098 . . . . 1.0 110.0 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mt -60.39 -35.16 75.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.966 -1.084 . . . . 1.0 108.673 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.5 -36.14 75.47 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.5 m -65.92 -41.5 91.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -0.893 . . . . 1.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.484 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.2 m-85 -64.94 -36.24 83.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 1.0 108.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 699' ' ' ALA . 95.0 mt -61.5 -37.66 84.46 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 40.8 m80 -66.79 -47.56 71.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.461 -0.775 . . . . 1.0 110.128 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -55.44 -27.2 47.09 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.843 -1.303 . . . . 1.0 109.843 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.63 4.79 10.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -1.21 . . . . 1.0 109.689 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.61 -40.03 59.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 1.0 109.661 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 78.8 p -52.16 -35.63 49.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.224 -0.922 . . . . 1.0 109.605 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.489 HD22 ' CG ' ' A' ' 629' ' ' HIS . 72.6 mt -87.68 -37.92 16.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 1.0 110.342 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.45 -33.97 66.4 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.614 -1.304 . . . . 1.0 107.993 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -121.07 -80.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.411 -0.806 . . . . 1.0 109.638 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -173.11 -81.78 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.971 -1.081 . . . . 1.0 109.667 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 57.47 104.32 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.137 -0.977 . . . . 1.0 109.508 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 27.4 p -94.47 160.17 14.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 1.0 109.415 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -88.39 133.63 34.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 1.0 109.42 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.991 -1.004 . . . . 1.0 109.455 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.938 0 N-CA-C 119.482 2.553 . . . . 1.0 119.482 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 21.8 m -58.24 -34.62 70.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -1.121 . . . . 1.0 109.513 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 96.37 -0.78 61.91 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.58 -1.408 . . . . 1.0 109.58 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -59.13 -33.15 70.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.323 -1.104 . . . . 1.0 109.547 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.35 155.55 35.71 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.328 -0.857 . . . . 1.0 109.41 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.14 169.58 13.41 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.066 2.51 . . . . 1.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 552' ' ' LEU . 8.1 mp -76.44 170.1 17.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.173 -0.954 . . . . 1.0 109.494 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -109.2 165.38 11.66 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.796 0.807 . . . . 1.0 109.106 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.33 -41.24 75.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.0 tt0 -57.81 -44.66 86.52 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.502 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.2 -45.29 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.14 81.31 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.165 -0.68 . . . . 1.0 109.165 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -44.23 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.053 -1.029 . . . . 1.0 109.151 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 65.2 mm-40 -71.61 -48.79 45.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.167 -0.958 . . . . 1.0 109.277 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.6 m -59.69 -45.58 91.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.776 -1.202 . . . . 1.0 109.822 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.38 -46.71 89.0 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.159 -0.963 . . . . 1.0 109.747 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.16 85.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.396 -0.815 . . . . 1.0 109.939 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 566' ' ' GLN . 0.0 OUTLIER -61.08 -38.0 84.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.017 -1.052 . . . . 1.0 109.345 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -75.31 -41.06 57.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.862 . . . . 1.0 109.395 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.27 -30.0 71.22 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.392 -0.817 . . . . 1.0 110.393 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 563' ' ' ARG . 96.2 mt-30 -77.42 -45.32 26.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 1.0 108.795 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -32.13 82.73 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 564' ' ' LEU . 58.3 t -69.24 -49.91 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.109 -1.23 . . . . 1.0 109.013 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 87.0 p -66.99 -37.78 84.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.226 -0.921 . . . . 1.0 108.85 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 48.9 m -62.91 -42.88 99.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 1.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 567' ' ' GLY . 66.9 p -67.86 -33.47 74.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.167 -0.958 . . . . 1.0 109.404 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 568' ' ' VAL . 71.6 t -61.51 -40.27 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.163 -0.961 . . . . 1.0 108.926 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.75 80.29 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.362 -0.977 . . . . 1.0 108.362 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -55.58 -51.62 66.49 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.333 -0.854 . . . . 1.0 109.053 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 579' ' ' VAL . 0.9 OUTLIER -57.88 -47.72 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 1.0 109.467 179.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.496 HD13 HG12 ' A' ' 572' ' ' VAL . 5.4 mp -65.39 -31.45 72.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 1.0 108.991 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.95 -40.73 65.12 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.448 -0.782 . . . . 1.0 109.134 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 578' ' ' LEU . 38.9 tp -66.18 -44.45 83.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 1.0 109.551 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 581' ' ' SER . 19.0 m -80.38 -26.99 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 1.0 109.531 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 48.56 -91.6 0.01 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.594 -1.403 . . . . 1.0 109.594 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 579' ' ' VAL . 0.8 OUTLIER -124.27 33.31 5.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -1.196 . . . . 1.0 109.521 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -58.74 148.52 29.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 1.0 109.544 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 2.3 t 60.57 17.62 7.58 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.115 -0.991 . . . . 1.0 109.416 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -58.34 168.1 5.81 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.54 -1.424 . . . . 1.0 109.54 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.64 151.54 82.93 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.919 2.412 . . . . 1.0 112.223 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.73 125.12 4.87 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.631 -1.388 . . . . 1.0 109.631 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 75.49 33.69 51.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.511 -1.436 . . . . 1.0 109.511 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -55.83 -40.57 73.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -1.119 . . . . 1.0 109.633 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -93.79 78.93 4.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 1.0 109.569 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 592' ' ' SER . 84.2 p -64.72 -28.98 69.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 61.22 -2.62 0.21 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 1.0 109.472 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 590' ' ' SER . 61.8 m -146.43 165.03 30.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 1.0 109.378 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -102.72 109.21 60.53 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 1.0 109.646 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.34 -77.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.885 2.39 . . . . 1.0 112.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 50.69 48.18 23.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 1.0 109.42 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.3 OUTLIER -57.37 -43.97 99.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.342 -0.849 . . . . 1.0 109.722 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 3.9 Cg_exo -68.79 159.56 53.28 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.163 1.908 . . . . 1.0 113.305 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -70.17 127.93 14.96 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 121.81 1.674 . . . . 1.0 111.989 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 90.5 t -70.7 -33.93 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.913 . . . . 1.0 109.815 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.08 -41.28 78.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 1.0 109.282 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.64 -33.6 74.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.297 -0.877 . . . . 1.0 109.364 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.8 tt -62.02 -42.85 99.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 1.0 109.005 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -60.13 -35.48 75.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.864 . . . . 1.0 109.64 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.5 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 110.103 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.62 -47.24 55.93 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.206 -0.933 . . . . 1.0 110.421 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.5 m -71.32 -36.25 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.905 -1.122 . . . . 1.0 109.423 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -61.8 -36.21 80.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.92 42.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 1.0 110.193 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -62.73 -42.79 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.971 -1.08 . . . . 1.0 109.479 -178.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.499 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 1.4 m-70 -67.05 -38.87 86.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 1.0 109.549 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.91 95.37 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.077 -1.609 . . . . 1.0 109.077 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.54 79.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -1.105 . . . . 1.0 109.321 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 609' ' ' VAL . 90.8 t -66.92 -44.2 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.234 -0.916 . . . . 1.0 108.867 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -54.48 -34.1 60.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.862 . . . . 1.0 108.904 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.16 -33.45 75.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.182 -0.949 . . . . 1.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.0 tp -66.43 -37.69 85.75 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.855 -0.795 . . . . 1.0 108.855 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' A' ' 650' ' ' TYR . 1.4 mp -75.13 -39.44 60.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.748 -0.595 . . . . 1.0 111.135 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.17 -45.99 53.35 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.683 -1.261 . . . . 1.0 111.481 -178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.722 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.2 OUTLIER -71.26 -40.56 70.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.689 -1.257 . . . . 1.0 109.054 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.722 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.78 -40.29 91.82 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.423 ' CD ' ' C ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -60.48 -37.3 80.59 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.794 -0.817 . . . . 1.0 108.794 178.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 22.1 t -59.48 -36.25 75.66 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.797 -0.816 . . . . 1.0 108.797 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.9 -43.01 72.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.436 -0.79 . . . . 1.0 109.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 702' ' ' LEU . 73.3 t -64.39 -40.81 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.0 109.797 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 50.0 m -57.13 -33.02 66.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 1.0 108.783 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 75.3 m -83.58 4.1 29.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.414 -0.804 . . . . 1.0 109.264 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 628' ' ' THR . . . -63.59 -34.31 77.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.305 -0.872 . . . . 1.0 109.445 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 627' ' ' ALA . 0.1 OUTLIER 50.98 178.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 1.0 109.356 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.23 93.13 6.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 1.0 109.615 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.529 ' OG1' ' NH2' ' A' ' 705' ' ' ARG . 38.0 m -132.59 143.15 49.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.294 -0.878 . . . . 1.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 6.6 m 53.46 -163.11 0.1 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.178 -0.952 . . . . 1.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -59.24 149.71 27.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 1.0 109.214 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -98.84 5.67 47.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.258 -0.901 . . . . 1.0 109.781 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.0 p -61.51 -38.88 88.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 1.0 109.471 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.799 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.42 -46.85 85.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.0 109.378 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 636' ' ' HIS . . . . . 0.533 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 44.2 t-80 -62.62 -41.32 98.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 1.0 108.187 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.0 75.42 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.22 -47.05 81.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 1.0 109.682 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.96 -47.34 74.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 1.0 109.43 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' SER . . . . . 0.533 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 40.8 m -61.87 -39.42 91.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.313 -0.867 . . . . 1.0 110.22 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -60.74 -46.2 91.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.365 -0.835 . . . . 1.0 110.177 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -73.23 -47.52 42.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 643' ' ' LEU . 28.5 tp -55.9 -46.5 78.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 1.0 109.971 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.0 -32.14 73.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 1.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 649' ' ' VAL . 2.4 tmtt? -67.27 -41.8 84.92 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.859 -1.163 . . . . 1.0 107.859 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.513 ' SD ' HD22 ' A' ' 691' ' ' LEU . 10.7 mtp -64.87 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.216 -1.031 . . . . 1.0 108.216 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.85 -51.16 70.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.609 0.719 . . . . 1.0 109.214 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -61.21 -40.34 93.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.613 -0.679 . . . . 1.0 109.428 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 645' ' ' LYS . 58.1 t -72.09 -37.16 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.24 -0.913 . . . . 1.0 109.637 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.897 ' CD2' HD22 ' A' ' 617' ' ' LEU . 3.6 m-30 -57.73 -41.17 81.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.062 -1.023 . . . . 1.0 109.375 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.87 -36.82 64.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.174 -0.954 . . . . 1.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 45.8 m -59.77 -46.43 89.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 1.0 109.289 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 680' ' ' CYS . 86.5 mt -69.38 -35.83 76.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 1.0 109.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 650' ' ' TYR . 70.2 t -65.16 -44.11 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 1.0 109.477 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 659' ' ' VAL . 84.1 t -67.13 -43.16 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.087 -1.008 . . . . 1.0 108.492 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 656' ' ' HIS . 0.0 OUTLIER -65.12 -41.22 95.07 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.413 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.57 66.14 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.77 -28.56 68.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.122 -1.222 . . . . 1.0 109.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -63.5 -40.27 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 1.0 109.878 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.9 OUTLIER -57.26 -23.02 45.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.166 -0.958 . . . . 1.0 109.362 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 663' ' ' GLY . 67.1 t0 -71.68 117.8 13.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 1.0 109.572 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.78 21.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 1.0 109.518 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLY . . . . . 0.481 ' O ' ' O ' ' A' ' 664' ' ' ARG . . . 60.1 -108.4 1.74 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.524 -1.43 . . . . 1.0 109.524 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.481 ' O ' ' O ' ' A' ' 663' ' ' GLY . 59.4 ttt180 60.65 138.36 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 1.0 109.364 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.62 4.05 66.04 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 146.3 -173.02 26.73 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.48 150.58 11.37 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.964 2.442 . . . . 1.0 112.434 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -58.84 -163.2 0.07 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.576 -1.41 . . . . 1.0 109.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 31.1 p90 -131.79 164.98 24.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -1.109 . . . . 1.0 109.543 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.7 p -131.87 -179.37 5.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.148 -0.97 . . . . 1.0 109.47 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.7 mt -53.78 -23.71 12.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.0 109.216 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -64.99 -47.22 78.32 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.292 -0.88 . . . . 1.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.63 -36.84 67.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.279 -0.888 . . . . 1.0 109.55 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -62.37 -36.89 83.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.36 -0.837 . . . . 1.0 109.433 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.07 -37.0 78.6 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 80.4 mtp180 -74.34 -37.81 63.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.46 -48.51 67.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.149 -0.97 . . . . 1.0 108.472 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.42 HG22 HD21 ' A' ' 575' ' ' LEU . 75.7 t -57.93 -29.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.004 -1.109 . . . . 1.0 108.004 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 679' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -64.8 -41.71 95.6 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -67.6 -38.43 83.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 1.0 109.628 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.638 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 25.3 t -58.59 -34.81 71.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.255 -0.903 . . . . 1.0 111.401 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -77.61 -32.78 53.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.568 -1.333 . . . . 1.0 110.051 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.6 65.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.132 -0.98 . . . . 1.0 111.482 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -56.5 -52.99 69.03 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 1.0 112.368 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.638 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.5 Cg_endo -63.19 -41.17 28.97 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.986 1.791 . . . . 1.0 113.153 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.51 -41.53 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.816 -1.178 . . . . 1.0 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.43 -29.8 62.81 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.532 -0.73 . . . . 1.0 109.312 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.37 -42.03 94.94 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.12 -0.988 . . . . 1.0 108.721 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.38 -41.18 89.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.534 -0.729 . . . . 1.0 109.478 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.26 -43.31 78.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 1.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.513 HD22 ' SD ' ' A' ' 646' ' ' MET . 6.1 tp -60.19 -36.94 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.8 -32.74 69.63 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.743 -0.836 . . . . 1.0 108.743 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.6 m -68.59 -38.54 80.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.0 109.387 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -0.949 . . . . 1.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 699' ' ' ALA . 4.0 mm? -64.84 -36.98 86.1 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.081 -1.081 . . . . 1.0 108.081 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 3.2 t-80 -70.83 -43.88 67.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 1.0 109.895 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.53 -29.34 47.6 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.809 -1.316 . . . . 1.0 109.809 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -122.73 9.03 9.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -1.197 . . . . 1.0 109.629 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.57 -31.32 62.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.185 -0.947 . . . . 1.0 109.434 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 700' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 704' ' ' ARG . 20.0 m -53.61 -38.03 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.968 . . . . 1.0 109.909 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.0 mt -87.58 -33.96 18.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.984 . . . . 1.0 110.369 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 624' ' ' VAL . 71.0 mt -59.27 -35.61 74.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.924 -1.11 . . . . 1.0 108.107 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' A' ' 705' ' ' ARG . 9.8 m-85 -118.56 -74.57 0.6 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 1.0 109.167 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 700' ' ' SER . 53.1 ttt85 -63.43 66.69 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.283 -0.885 . . . . 1.0 109.875 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 705' ' ' ARG . . . . . 0.573 ' N ' ' O ' ' A' ' 703' ' ' PHE . 58.7 ttt85 -55.65 142.13 35.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.123 -0.985 . . . . 1.0 109.738 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 43.6 p -83.8 159.61 21.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 1.0 109.374 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -96.99 147.11 24.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 1.0 109.489 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.003 -0.999 . . . . 1.0 109.499 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.905 0 N-CA-C 119.404 2.522 . . . . 1.0 119.404 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 32.3 m -59.66 -32.67 70.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.199 -1.177 . . . . 1.0 109.43 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 93.92 7.46 61.22 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.556 -1.418 . . . . 1.0 109.556 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -90.73 141.2 29.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.13 . . . . 1.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.34 155.58 54.33 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 1.0 109.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.72 156.21 66.9 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.837 2.358 . . . . 1.0 112.5 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.475 HD11 ' OG ' ' A' ' 622' ' ' SER . 59.4 mt -88.77 158.13 18.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.386 -0.821 . . . . 1.0 109.369 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.4 150.3 26.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.347 -0.845 . . . . 1.0 109.157 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.428 HD13 ' HB1' ' A' ' 699' ' ' ALA . 28.6 tp -57.81 -36.75 72.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 1.0 110.47 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.88 -40.27 94.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.936 -1.103 . . . . 1.0 109.719 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 84.3 t -72.2 -41.07 66.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.945 -1.132 . . . . 1.0 107.945 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.63 98.52 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.904 -0.776 . . . . 1.0 108.904 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -34.46 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.037 -1.039 . . . . 1.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.11 -50.54 19.05 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 1.0 109.531 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 87.9 m -60.18 -40.63 90.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.807 -1.183 . . . . 1.0 110.021 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.89 -46.85 86.85 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.22 -0.925 . . . . 1.0 110.275 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.34 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 1.0 110.413 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -64.24 -38.97 92.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.918 -1.114 . . . . 1.0 108.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.0 mp -73.99 -36.54 64.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.323 -0.861 . . . . 1.0 109.735 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' GLN . . . . . 0.668 HE22 HD11 ' A' ' 616' ' ' LEU . 0.6 OUTLIER -62.94 -34.57 77.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.936 . . . . 1.0 110.644 -179.15 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.77 -41.4 30.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.828 -1.17 . . . . 1.0 108.793 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.31 -33.35 84.15 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.425 -1.87 . . . . 1.0 108.425 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 564' ' ' LEU . 70.2 t -71.59 -49.42 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.41 -1.053 . . . . 1.0 108.784 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 m -68.59 -37.02 79.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -0.886 . . . . 1.0 108.792 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.1 m -62.26 -42.72 99.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 1.0 109.824 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.823 ' OG1' HG23 ' A' ' 609' ' ' VAL . 66.8 p -67.87 -33.66 75.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 1.0 110.055 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.39 -39.41 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.12 -0.988 . . . . 1.0 109.158 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.61 82.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.372 -0.83 . . . . 1.0 109.395 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -62.28 -47.78 82.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 1.0 109.521 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.35 -45.36 76.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 1.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -41.5 69.29 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.182 -0.949 . . . . 1.0 108.59 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.54 -41.04 96.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.5 -0.75 . . . . 1.0 109.404 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.5 tt -71.99 -43.71 64.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.0 109.468 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.72 -39.52 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 1.0 109.557 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -56.85 -33.3 63.24 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 91.3 p -58.69 -32.31 69.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -1.147 . . . . 1.0 109.487 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -93.04 -57.75 2.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0 109.48 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 584' ' ' GLY . 22.9 t -59.2 -27.81 66.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.0 109.528 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 584' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -55.36 -170.13 0.07 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.06 142.85 26.39 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.841 2.361 . . . . 1.0 112.156 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -165.36 -110.22 0.23 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -84.13 176.82 51.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -145.75 -171.12 3.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -1.152 . . . . 1.0 109.588 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 60.27 35.17 20.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 1.0 109.279 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 10.6 p 45.84 46.81 12.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 1.0 109.467 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 62.4 m -81.07 131.58 35.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 1.0 109.425 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.3 m -73.05 143.32 47.52 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.273 -0.892 . . . . 1.0 109.435 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -171.21 69.96 0.5 Allowed Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.949 . . . . 1.0 109.554 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.99 137.69 36.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.807 2.338 . . . . 1.0 112.167 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -105.35 133.57 49.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 1.0 109.586 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -141.24 63.07 17.18 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.0 109.572 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -72.8 162.77 40.27 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.777 2.318 . . . . 1.0 111.913 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -44.72 121.95 3.74 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.563 2.176 . . . . 1.0 111.975 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.8 t -67.37 -35.77 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 1.0 109.895 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -57.98 -40.36 80.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 1.0 109.116 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.28 -43.67 97.23 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 121.359 -0.838 . . . . 1.0 108.949 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.0 OUTLIER -69.94 -42.95 72.57 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.432 -0.793 . . . . 1.0 109.137 179.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -59.78 -33.88 72.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.438 -0.789 . . . . 1.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 1.0 110.15 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.35 65.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.179 -0.951 . . . . 1.0 110.254 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.443 ' H ' HG13 ' A' ' 606' ' ' VAL . 1.3 m -69.53 -34.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.007 -1.058 . . . . 1.0 109.661 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -64.21 -31.6 72.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -0.932 . . . . 1.0 109.56 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.62 -53.86 16.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 1.0 110.366 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.823 HG23 ' OG1' ' A' ' 571' ' ' THR . 3.9 p -62.24 -42.06 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 1.0 109.658 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.63 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -63.73 -41.83 97.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.111 -0.993 . . . . 1.0 109.267 179.046 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -58.59 -41.07 95.4 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.699 -1.76 . . . . 1.0 108.699 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.19 73.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -1.09 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 650' ' ' TYR . 25.6 t -68.05 -44.51 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.581 -1.325 . . . . 1.0 108.476 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.42 -38.33 71.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -0.826 . . . . 1.0 109.529 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 618' ' ' GLU . 77.6 mm-40 -59.22 -36.72 75.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.899 -1.126 . . . . 1.0 107.965 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.668 HD11 HE22 ' A' ' 565' ' ' GLN . 5.7 tp -68.06 -37.27 81.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.791 -0.568 . . . . 1.0 109.669 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.566 HD23 ' OE2' ' A' ' 647' ' ' GLU . 5.1 mp -76.1 -41.08 51.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 1.0 111.352 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 619' ' ' PHE . 16.2 pt-20 -72.77 -44.89 61.02 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.779 -1.2 . . . . 1.0 111.195 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.1 OUTLIER -71.32 -42.06 69.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.697 -1.252 . . . . 1.0 108.91 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.76 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -62.48 -38.98 91.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.518 -1.29 . . . . 1.0 107.518 178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.15 75.85 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' SER . . . . . 0.475 ' OG ' HD11 ' A' ' 552' ' ' LEU . 13.0 t -58.88 -37.58 76.89 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.889 -0.782 . . . . 1.0 108.889 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.83 82.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.332 -0.855 . . . . 1.0 109.607 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.474 HG22 HD21 ' A' ' 639' ' ' LEU . 93.9 t -63.96 -41.74 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -0.832 . . . . 1.0 109.922 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.9 p -66.74 -25.24 66.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 1.0 109.005 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 79.6 p -82.84 -9.11 59.48 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.285 -0.884 . . . . 1.0 108.892 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.726 ' HB2' HD12 ' A' ' 702' ' ' LEU . . . -74.23 124.58 26.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 1.0 109.384 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.53 ' O ' ' CG ' ' A' ' 629' ' ' HIS . 36.3 m -155.61 116.88 3.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.0 109.921 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 628' ' ' THR . 1.5 m-70 170.74 -12.8 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.34 -0.85 . . . . 1.0 109.512 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 631' ' ' SER . 81.5 p 46.88 -92.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 1.0 109.41 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 629' ' ' HIS . 9.4 m 47.13 -125.73 1.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.0 109.389 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 634' ' ' THR . 89.6 m-20 -55.48 -36.94 67.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 1.0 109.416 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 65.77 -7.71 0.34 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.335 -0.853 . . . . 1.0 109.368 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 632' ' ' ASP . 82.1 p -64.42 -39.22 93.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 1.0 109.538 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.59 -47.23 84.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 1.0 109.217 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -59.63 -47.58 85.04 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.713 ' HB1' ' HE ' ' A' ' 641' ' ' ARG . . . -62.65 -51.8 65.81 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.435 -0.95 . . . . 1.0 108.435 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -60.66 -38.66 85.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.41 -0.806 . . . . 1.0 109.681 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 624' ' ' VAL . 53.8 tp -73.94 -45.93 47.29 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.23 -0.919 . . . . 1.0 109.201 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 21.6 m -61.53 -45.73 92.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.892 . . . . 1.0 110.468 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' ARG . . . . . 0.713 ' HE ' ' HB1' ' A' ' 637' ' ' ALA . 46.6 mtt-85 -60.83 -45.72 93.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.881 -1.137 . . . . 1.0 110.17 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.68 -44.16 64.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.927 -1.108 . . . . 1.0 109.813 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -70.14 -41.71 73.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.16 -0.962 . . . . 1.0 110.025 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.8 -37.0 86.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.06 -1.025 . . . . 1.0 108.572 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -63.44 -37.91 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 617' ' ' LEU . 13.4 tpp -67.24 -37.54 83.7 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.941 0.877 . . . . 1.0 108.723 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.566 ' OE2' HD23 ' A' ' 617' ' ' LEU . 54.5 mm-40 -63.64 -51.27 65.92 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.62 0.724 . . . . 1.0 109.637 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.29 -42.84 74.94 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.482 -0.761 . . . . 1.0 109.779 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.69 -44.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.0 109.307 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.709 ' CD1' HG11 ' A' ' 613' ' ' VAL . 22.5 t80 -62.88 -33.59 75.62 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.391 -0.818 . . . . 1.0 109.864 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.45 -32.25 72.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 1.0 109.812 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 62.4 m -65.89 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 1.0 109.204 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.99 -36.21 82.68 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 1.0 109.138 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.78 -44.58 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.36 -0.838 . . . . 1.0 109.655 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.58 -46.28 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.901 -1.125 . . . . 1.0 108.283 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.94 -37.46 82.41 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.35 -41.6 37.14 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.25 -29.0 57.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.101 -1.235 . . . . 1.0 109.343 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -39.81 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 1.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.454 HD11 HD13 ' A' ' 602' ' ' LEU . 1.2 tt -81.3 89.36 6.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.024 -1.048 . . . . 1.0 109.394 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 662' ' ' SER . 45.2 t0 -169.56 -104.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 1.0 109.552 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.403 ' N ' ' CG ' ' A' ' 661' ' ' ASP . 47.8 m -59.85 155.51 16.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 1.0 109.45 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -146.09 112.39 0.62 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.705 -1.358 . . . . 1.0 109.705 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -61.21 -36.28 79.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.18 -1.188 . . . . 1.0 109.588 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 666' ' ' GLY . . . 153.5 -178.78 30.3 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.587 -1.405 . . . . 1.0 109.587 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 665' ' ' GLY . . . 47.76 -173.49 0.03 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.5 -1.44 . . . . 1.0 109.5 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.24 150.32 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.968 2.445 . . . . 1.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -139.03 -120.52 1.81 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.741 -1.343 . . . . 1.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -55.19 -35.22 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.248 -1.148 . . . . 1.0 109.178 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.7 149.3 0.05 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.987 -1.071 . . . . 1.0 109.747 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.9 -24.41 51.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.0 109.4 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.0 -48.24 82.51 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.37 -0.831 . . . . 1.0 109.557 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.03 -33.73 67.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.0 109.747 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.75 -37.98 83.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 1.0 109.475 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.54 -36.23 79.99 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.316 -1.364 . . . . 1.0 107.316 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -73.7 -38.59 64.8 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.122 -0.696 . . . . 1.0 109.122 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.0 tt -69.8 -48.05 60.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 1.0 108.873 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.05 -31.01 40.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.068 -1.086 . . . . 1.0 108.068 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.19 57.38 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.594 -0.691 . . . . 1.0 109.199 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 15.5 m -63.5 -36.19 82.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 1.0 109.206 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.581 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.8 t -58.67 -33.89 70.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.268 -0.895 . . . . 1.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -71.68 -25.95 62.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.731 -1.23 . . . . 1.0 109.537 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.42 -43.08 70.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 1.0 111.171 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 684' ' ' VAL . 0.0 OUTLIER -57.95 -51.74 79.53 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.864 -1.147 . . . . 1.0 112.012 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.581 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.6 Cg_exo -61.02 -43.8 28.06 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.901 1.734 . . . . 1.0 112.949 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.68 -40.62 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.733 -1.229 . . . . 1.0 108.073 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.42 -36.07 78.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.719 . . . . 1.0 109.455 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.08 98.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.008 . . . . 1.0 108.771 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 29.6 ttmt -66.53 -48.91 68.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.389 -0.82 . . . . 1.0 108.931 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.78 -43.42 98.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.435 -0.791 . . . . 1.0 109.171 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.14 -34.74 70.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.048 -1.093 . . . . 1.0 108.048 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 689' ' ' LYS . . . -59.17 -35.56 73.76 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.388 -0.82 . . . . 1.0 108.934 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.9 t -63.91 -41.51 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 1.0 109.945 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -61.2 -39.97 92.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -0.996 . . . . 1.0 108.523 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.1 mp -62.52 -40.32 96.39 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.75 -51.41 68.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.62 -0.675 . . . . 1.0 110.419 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.73 -23.86 61.52 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.76 -1.209 . . . . 1.0 110.12 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 702' ' ' LEU . 4.9 m-20 -114.67 9.29 16.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.328 . . . . 1.0 109.73 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.5 -28.11 66.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 1.0 109.56 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 29.7 m -66.9 -45.41 78.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 1.0 109.723 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.2 -20.68 15.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.0 110.26 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 627' ' ' ALA . 55.0 tp -63.2 -28.63 70.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.8 -1.187 . . . . 1.0 108.403 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -122.11 -99.07 0.43 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.465 -0.772 . . . . 1.0 109.198 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -171.87 62.48 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.389 -0.819 . . . . 1.0 109.088 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -139.09 146.33 40.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 1.0 109.471 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 30.2 p -87.23 158.59 19.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.255 -0.903 . . . . 1.0 109.526 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -60.54 -35.62 76.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.94 . . . . 1.0 109.451 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.029 -0.986 . . . . 1.0 109.441 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.838 0 N-CA-C 119.457 2.543 . . . . 1.0 119.457 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 87.0 p -60.21 -29.75 68.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.284 -1.127 . . . . 1.0 109.457 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 93.47 2.89 65.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.606 -1.398 . . . . 1.0 109.606 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -57.1 -36.75 71.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.218 -1.166 . . . . 1.0 109.37 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -145.47 157.91 51.56 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.231 -0.918 . . . . 1.0 109.153 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -40.31 165.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.629 2.22 . . . . 1.0 112.564 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 58.4 mt -97.33 158.37 15.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.451 -0.781 . . . . 1.0 109.258 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 555' ' ' GLU . 84.7 tt0 -95.73 151.08 19.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.271 -0.893 . . . . 1.0 109.479 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 555' ' ' GLU . 2.0 pp -58.21 -34.26 70.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.375 -0.828 . . . . 1.0 108.998 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 554' ' ' LEU . 79.0 mm-40 -66.81 -37.66 84.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.226 -0.921 . . . . 1.0 110.051 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.638 ' O ' ' OG1' ' A' ' 560' ' ' THR . 74.3 t -72.17 -47.88 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.771 -1.206 . . . . 1.0 107.901 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -57.31 -39.9 76.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.629 -0.67 . . . . 1.0 109.225 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.5 -35.74 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 1.0 109.723 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.1 -46.4 43.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.038 . . . . 1.0 109.808 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -62.3 -48.14 81.2 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.63 -0.669 . . . . 1.0 109.784 -179.632 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 561' ' ' LEU . 2.6 tt -68.16 -39.66 82.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.202 -0.936 . . . . 1.0 109.614 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.4 98.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.399 -0.813 . . . . 1.0 110.087 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -62.73 -33.38 75.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.088 -1.008 . . . . 1.0 108.641 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 619' ' ' PHE . 4.8 mp -67.2 -38.13 84.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.51 -0.743 . . . . 1.0 109.684 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' GLN . . . . . 0.405 ' HB3' HE21 ' A' ' 565' ' ' GLN . 6.7 mm100 -60.55 -31.85 70.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 1.0 109.207 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.56 -45.72 43.58 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -33.61 87.45 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 572' ' ' VAL . 42.7 t -72.6 -49.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.071 -1.252 . . . . 1.0 108.895 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -41.01 92.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.205 -0.934 . . . . 1.0 109.3 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.2 m -62.35 -40.08 95.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.526 -0.734 . . . . 1.0 110.487 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 567' ' ' GLY . 27.2 p -67.74 -32.91 73.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.002 -1.061 . . . . 1.0 109.77 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.47 HG21 ' HG3' ' A' ' 685' ' ' PRO . 77.3 t -71.66 -35.09 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 1.0 109.55 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.31 99.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.997 . . . . 1.0 108.656 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' HIS . . . . . 0.652 ' ND1' ' O ' ' A' ' 571' ' ' THR . 1.0 OUTLIER -67.66 -42.0 82.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.704 -0.623 . . . . 1.0 109.582 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.65 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 6.0 tp -58.29 -45.07 88.63 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.383 -0.823 . . . . 1.0 109.644 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -33.44 70.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 1.0 109.322 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -72.18 -43.07 65.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 1.0 109.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 578' ' ' LEU . 37.7 tp -66.93 -43.38 83.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 1.0 109.607 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.58 -25.16 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 1.0 109.533 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 582' ' ' ALA . . . -46.21 105.9 0.11 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.409 . . . . 1.0 109.579 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 582' ' ' ALA . 16.3 m 45.55 17.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.252 -1.146 . . . . 1.0 109.584 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 580' ' ' GLY . . . 54.37 102.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 1.0 109.482 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.4 m -58.26 -32.39 68.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.266 -0.896 . . . . 1.0 109.496 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -49.88 166.19 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.39 154.16 70.02 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.843 2.362 . . . . 1.0 112.18 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -51.5 153.54 4.95 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.581 -1.408 . . . . 1.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -73.73 149.57 41.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.527 -1.429 . . . . 1.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.54 155.39 18.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -1.154 . . . . 1.0 109.418 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -50.74 140.4 14.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -0.96 . . . . 1.0 109.444 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 5.6 m -147.97 163.1 37.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -0.915 . . . . 1.0 109.403 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 44.4 p -64.17 -38.88 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 1.0 109.418 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 31.2 t -165.34 150.23 9.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 1.0 109.504 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 52.14 71.15 1.56 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 1.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.0 -28.17 82.12 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.795 2.33 . . . . 1.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -99.82 131.52 45.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 1.0 109.406 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.494 ' H ' ' HD2' ' A' ' 597' ' ' PRO . 3.6 mt-10 -159.08 -60.58 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.312 -0.867 . . . . 1.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.494 ' HD2' ' H ' ' A' ' 596' ' ' GLU . 10.9 Cg_exo -43.92 -42.66 12.31 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.119 1.88 . . . . 1.0 112.889 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 11.9 Cg_exo -72.29 -16.82 27.9 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.01 1.807 . . . . 1.0 112.07 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.82 -43.41 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.843 . . . . 1.0 109.574 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.03 -46.11 90.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.181 -0.949 . . . . 1.0 109.347 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.09 -32.76 73.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.294 -0.879 . . . . 1.0 109.335 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 660' ' ' LEU . 1.2 mp -63.62 -40.6 97.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 1.0 109.021 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -59.41 -39.25 82.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.338 -0.851 . . . . 1.0 109.579 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.04 71.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 1.0 109.594 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 575' ' ' LEU . . . -67.39 -46.96 71.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.412 -0.805 . . . . 1.0 110.293 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.41 -37.11 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.909 -1.119 . . . . 1.0 109.532 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.88 -32.34 73.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.98 . . . . 1.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.83 40.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.0 109.563 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.518 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -63.07 -42.55 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 1.0 109.116 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.453 ' O ' HG12 ' A' ' 613' ' ' VAL . 16.1 t-80 -63.42 -38.36 90.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.028 -1.045 . . . . 1.0 109.821 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -69.45 -45.61 59.4 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.434 -0.889 . . . . 1.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.12 70.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.758 -1.437 . . . . 1.0 110.27 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 650' ' ' TYR . 2.1 p -69.63 -43.23 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.123 . . . . 1.0 108.35 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 614' ' ' HIS . . . . . 0.527 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 49.8 t-80 -53.92 -32.47 53.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 1.0 108.79 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -64.83 -30.5 71.5 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.926 -1.139 . . . . 1.0 107.926 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.03 -43.85 73.9 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.0 OUTLIER -62.3 -40.27 95.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.142 -1.058 . . . . 1.0 108.142 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 618' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 621' ' ' ARG . 75.4 mm-40 -72.85 -46.27 53.81 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.184 -0.947 . . . . 1.0 109.401 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.1 m-85 -62.38 -47.27 84.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.03 -1.044 . . . . 1.0 109.129 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.36 88.6 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.167 -0.958 . . . . 1.0 108.642 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 618' ' ' GLU . 0.0 OUTLIER -68.78 -37.43 79.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.691 -0.63 . . . . 1.0 109.767 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.4 m -57.22 -44.5 83.79 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.099 -1.0 . . . . 1.0 109.098 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.331 -0.856 . . . . 1.0 109.694 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 627' ' ' ALA . 53.6 t -58.17 -37.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 1.0 109.492 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 57.8 m 51.55 -146.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 1.0 109.694 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.574 ' O ' ' HB3' ' A' ' 627' ' ' ALA . 24.2 m -55.57 -40.69 72.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.33 -0.856 . . . . 1.0 109.92 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 626' ' ' SER . . . 70.07 -13.75 0.41 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.214 -0.929 . . . . 1.0 109.39 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 626' ' ' SER . 41.5 p -80.68 -22.98 39.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.314 -0.866 . . . . 1.0 109.432 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -85.2 1.39 48.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.238 -0.914 . . . . 1.0 109.558 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 44.7 m -65.85 131.19 45.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 1.0 109.431 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 83.9 p -64.38 -38.99 92.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 1.0 109.414 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -101.17 123.89 46.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.355 -0.841 . . . . 1.0 109.35 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -82.92 -22.42 33.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.225 -0.922 . . . . 1.0 109.626 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -41.72 96.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.941 . . . . 1.0 109.425 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 698' ' ' ASN . 4.1 mm? -60.05 -46.8 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0 109.356 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -61.39 -46.11 91.51 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.39 74.04 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.849 -0.796 . . . . 1.0 108.849 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' LYS . . . . . 0.58 ' NZ ' ' CE2' ' A' ' 694' ' ' PHE . 2.6 mtpp -62.85 -44.92 94.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.409 -0.807 . . . . 1.0 108.992 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 639' ' ' LEU . 6.2 tt -66.84 -46.9 73.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 1.0 109.756 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -63.37 -42.09 98.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.818 . . . . 1.0 109.906 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 -59.77 -46.54 88.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.0 109.756 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.417 ' HB2' HE21 ' A' ' 642' ' ' GLN . 3.0 tp-100 -68.54 -33.83 74.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.0 109.701 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.01 -45.34 85.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 1.0 109.641 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.18 -35.07 76.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 1.0 108.769 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.91 -36.73 84.91 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.2 -1.037 . . . . 1.0 108.2 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.2 mtp -69.58 -37.57 77.02 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 617' ' ' LEU . 61.8 mm-40 -59.7 -49.74 76.56 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.325 -0.991 . . . . 1.0 108.325 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.85 -41.21 99.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.799 -0.563 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 645' ' ' LYS . 95.7 t -74.57 -37.29 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.0 109.75 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.946 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -62.94 -46.29 88.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0 109.11 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -70.17 -29.42 66.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 1.0 109.561 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 86.9 m -57.54 -41.86 81.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.228 -0.92 . . . . 1.0 109.252 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 657' ' ' GLY . 3.4 mt -67.77 -39.81 84.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.351 -0.843 . . . . 1.0 109.084 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.6 -44.22 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.314 -0.866 . . . . 1.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 t -67.21 -47.2 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.206 -1.035 . . . . 1.0 108.206 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -60.89 -37.08 80.96 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.887 -1.153 . . . . 1.0 107.887 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.19 -47.87 28.12 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.176 -1.57 . . . . 1.0 109.176 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -59.33 -35.29 73.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -1.196 . . . . 1.0 109.222 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.1 t -68.68 -35.0 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.0 109.181 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 602' ' ' LEU . 6.2 tt -55.27 -36.36 66.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.485 -0.759 . . . . 1.0 109.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -67.94 123.05 19.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 1.0 109.649 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 89.3 p -60.52 -27.79 67.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 1.0 109.658 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.11 -117.77 11.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -142.29 73.19 1.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.298 -1.119 . . . . 1.0 109.479 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.74 6.34 63.9 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.658 -1.377 . . . . 1.0 109.658 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.48 52.03 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.543 -1.423 . . . . 1.0 109.543 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.0 134.06 48.08 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.875 2.383 . . . . 1.0 112.208 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -92.05 179.05 40.86 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.494 -1.442 . . . . 1.0 109.494 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 35.8 p90 -143.69 163.2 33.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -1.129 . . . . 1.0 109.47 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 24.7 p -133.38 -178.02 4.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.163 -0.961 . . . . 1.0 109.95 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.45 -24.48 20.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 1.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -66.31 -46.95 75.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.186 -0.946 . . . . 1.0 109.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.2 -37.22 69.35 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.262 -0.899 . . . . 1.0 109.502 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.34 -35.7 79.93 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.294 -0.879 . . . . 1.0 109.651 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -60.04 -36.22 76.82 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.35 -41.47 73.13 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.78 -48.76 52.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 1.0 108.918 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.24 -31.9 43.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.209 -0.932 . . . . 1.0 108.505 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.85 -46.29 58.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.41 -38.39 87.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.168 -0.958 . . . . 1.0 109.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.622 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -56.17 -33.68 65.47 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -76.17 -28.95 57.53 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.786 -1.196 . . . . 1.0 109.54 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.5 70.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.204 -0.935 . . . . 1.0 111.27 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -58.31 -52.49 74.22 Favored Pre-proline 0 N--CA 1.497 1.919 0 O-C-N 120.867 -1.146 . . . . 1.0 112.117 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.622 ' CD ' ' O ' ' A' ' 681' ' ' SER . 21.6 Cg_endo -62.34 -42.29 28.95 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.813 1.675 . . . . 1.0 113.044 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.84 -42.15 81.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.722 -1.237 . . . . 1.0 108.48 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -75.11 -32.95 61.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.445 -0.785 . . . . 1.0 109.213 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -60.66 -38.77 85.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.121 -0.987 . . . . 1.0 108.766 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -67.06 -36.87 82.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.0 108.796 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.65 -44.44 93.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.16 -35.18 73.06 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.436 -0.95 . . . . 1.0 108.436 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.14 73.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.442 -0.786 . . . . 1.0 109.102 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.3 t -69.84 -40.38 75.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 1.0 109.609 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.58 ' CE2' ' NZ ' ' A' ' 638' ' ' LYS . 3.1 m-85 -61.91 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 1.0 108.89 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.0 mp -64.43 -35.38 80.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.297 -0.877 . . . . 1.0 109.01 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -69.29 -44.44 71.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 1.0 110.34 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.22 -25.67 60.41 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.653 -1.379 . . . . 1.0 109.653 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.572 HD21 HD12 ' A' ' 639' ' ' LEU . 29.0 p30 -120.19 2.71 10.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.318 -1.107 . . . . 1.0 109.646 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.76 -39.73 59.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 1.0 109.903 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 700' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 704' ' ' ARG . 67.0 m -52.42 -34.38 48.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.078 -1.014 . . . . 1.0 108.82 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.3 mp -87.58 -41.16 13.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.418 -0.801 . . . . 1.0 110.273 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.505 HD11 ' OD1' ' A' ' 698' ' ' ASN . 70.6 mt -55.54 -34.65 64.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.847 -1.158 . . . . 1.0 109.131 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 44.5 m-85 -104.89 -97.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 1.0 109.71 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' A' ' 700' ' ' SER . 96.8 mtt180 -139.95 -101.77 0.16 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.098 -1.001 . . . . 1.0 110.218 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 47.85 51.06 14.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 1.0 109.112 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 19.9 p -96.57 163.97 12.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 1.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -120.45 146.41 46.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.22 -0.925 . . . . 1.0 109.431 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.992 -1.004 . . . . 1.0 109.436 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.799 0 N-CA-C 119.432 2.533 . . . . 1.0 119.432 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 83.2 p -146.89 164.97 31.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -1.162 . . . . 1.0 109.553 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 81.15 63.37 1.88 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.473 -1.451 . . . . 1.0 109.473 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -52.26 -38.31 57.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -1.202 . . . . 1.0 109.406 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.58 158.63 73.0 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.215 -0.928 . . . . 1.0 109.666 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -41.78 148.54 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.771 2.314 . . . . 1.0 112.355 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.04 160.35 15.27 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.373 -0.829 . . . . 1.0 109.328 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -108.37 156.41 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 1.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -55.79 -40.77 73.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.372 -0.83 . . . . 1.0 109.591 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.72 -43.66 88.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.269 -0.894 . . . . 1.0 110.051 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.13 -44.42 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 107.602 -1.259 . . . . 1.0 107.602 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -59.83 -40.68 89.31 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.753 -0.592 . . . . 1.0 109.744 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -38.96 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.788 -1.195 . . . . 1.0 108.714 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -70.61 -50.6 35.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.419 -0.801 . . . . 1.0 109.736 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.1 t -61.22 -42.8 99.24 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.848 -1.157 . . . . 1.0 109.694 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 560' ' ' THR . 6.3 tp -71.26 -37.84 71.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.016 -1.053 . . . . 1.0 109.309 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.578 ' O ' ' NE2' ' A' ' 566' ' ' GLN . . . -65.9 -41.33 91.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.485 -0.759 . . . . 1.0 109.89 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 564' ' ' LEU . 15.0 ptt180 -61.38 -32.05 71.96 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.065 -1.022 . . . . 1.0 108.69 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.5 mp -70.68 -37.96 73.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.496 -0.753 . . . . 1.0 109.953 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.66 -31.06 71.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.259 -0.901 . . . . 1.0 109.989 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 562' ' ' ALA . 1.8 mp0 -79.22 -47.77 15.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.031 -1.043 . . . . 1.0 108.283 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.19 -33.56 87.56 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.735 -1.346 . . . . 1.0 109.735 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 564' ' ' LEU . 74.9 t -70.48 -48.52 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -1.215 . . . . 1.0 108.94 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.8 m -66.03 -37.37 85.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.343 -0.848 . . . . 1.0 108.921 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 91.4 m -62.74 -42.68 99.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.608 -0.683 . . . . 1.0 110.594 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 567' ' ' GLY . 79.8 p -68.81 -35.18 76.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.05 -1.031 . . . . 1.0 110.228 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.52 HG13 ' OG ' ' A' ' 681' ' ' SER . 77.3 t -65.37 -35.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.016 -1.052 . . . . 1.0 108.929 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.56 94.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.188 -0.945 . . . . 1.0 108.994 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' HIS . . . . . 0.649 ' CD2' ' N ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -60.81 -47.39 86.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 1.0 109.393 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 2.2 tt -57.05 -46.97 82.02 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 1.0 109.623 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -31.0 67.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.0 109.369 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -71.77 -36.68 70.44 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.258 -0.901 . . . . 1.0 109.257 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.09 -45.39 63.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 1.0 109.608 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 575' ' ' LEU . 19.6 m -77.8 -32.16 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 1.0 109.55 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.11 99.73 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.569 -1.413 . . . . 1.0 109.569 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 582' ' ' ALA . 28.5 m -62.98 -35.72 81.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -1.136 . . . . 1.0 109.603 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 581' ' ' SER . . . 61.7 143.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.245 -0.909 . . . . 1.0 109.46 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.1 m -57.87 -35.66 71.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 1.0 109.371 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -171.71 -170.99 36.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -53.09 -27.43 36.65 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.907 2.405 . . . . 1.0 112.304 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 88.65 165.1 40.95 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.83 138.49 16.22 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.563 -1.415 . . . . 1.0 109.563 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -58.62 -47.81 83.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -1.128 . . . . 1.0 109.55 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -172.11 -22.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 1.0 109.391 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.9 m -55.45 -39.98 71.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 1.0 109.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 26.3 p -132.86 152.08 51.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.297 -0.877 . . . . 1.0 109.41 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 48.3 p -92.0 -1.74 57.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.211 -0.931 . . . . 1.0 109.654 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 51.18 67.28 4.41 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 1.0 109.673 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.04 141.16 48.18 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.74 2.293 . . . . 1.0 112.027 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -98.68 61.18 1.33 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.157 -0.964 . . . . 1.0 109.604 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 1.1 tm-20 -93.75 -45.74 0.3 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.879 . . . . 1.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 7.9 Cg_exo -58.86 -45.06 30.95 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.067 1.844 . . . . 1.0 112.824 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 71.5 Cg_endo -82.16 18.78 1.35 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.093 1.862 . . . . 1.0 112.128 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 600' ' ' GLN . 9.6 p -58.64 -43.27 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.47 -0.769 . . . . 1.0 109.916 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLN . . . . . 0.571 ' N ' HG13 ' A' ' 599' ' ' VAL . 94.0 mt-30 -64.91 -44.94 87.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 1.0 109.252 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.31 -39.49 90.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.355 -0.841 . . . . 1.0 109.312 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.9 -42.2 58.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.822 . . . . 1.0 109.133 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -64.4 -38.0 89.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.448 -0.782 . . . . 1.0 109.403 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.13 72.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.394 -0.816 . . . . 1.0 109.596 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' ALA . . . . . 0.475 ' HB1' ' NE2' ' A' ' 574' ' ' HIS . . . -68.36 -47.8 66.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 1.0 110.01 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 607' ' ' ALA . 12.2 p -70.15 -36.87 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 1.0 109.502 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -62.13 -42.37 99.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 1.0 109.444 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.34 89.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 0.4 OUTLIER -60.76 -41.8 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.258 -0.901 . . . . 1.0 109.321 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.489 ' CE1' HG23 ' A' ' 654' ' ' VAL . 48.2 t60 -61.93 -31.61 71.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.233 -0.917 . . . . 1.0 109.405 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -65.16 -45.76 90.43 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 121.519 -0.738 . . . . 1.0 111.439 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.91 78.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.734 -1.45 . . . . 1.0 110.43 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.699 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.0 OUTLIER -72.64 -40.5 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.007 -1.058 . . . . 1.0 108.287 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -54.96 -37.42 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 1.0 108.866 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.64 -30.23 71.25 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.4 tp -70.64 -43.44 69.19 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.506 -0.924 . . . . 1.0 108.506 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -61.99 -39.42 92.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.809 -1.182 . . . . 1.0 107.809 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.49 -45.26 60.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -0.808 . . . . 1.0 109.358 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.497 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.4 m-30 -63.81 -46.48 84.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.157 -0.964 . . . . 1.0 108.799 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -67.35 -39.97 85.8 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.373 -0.973 . . . . 1.0 108.373 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 617' ' ' LEU . 0.0 OUTLIER -69.0 -39.64 79.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.658 -0.651 . . . . 1.0 109.76 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 24.1 t -55.86 -44.02 77.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.174 -0.954 . . . . 1.0 109.036 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.33 84.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -0.789 . . . . 1.0 109.533 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.09 -40.1 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.87 . . . . 1.0 109.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.5 t -56.88 -36.61 70.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 1.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 23.2 t -59.59 -34.77 73.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 1.0 109.099 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -69.98 172.89 7.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 1.0 109.806 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 631' ' ' SER . 14.2 t -130.11 155.52 46.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.0 109.615 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -71.6 -26.29 62.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.284 -0.885 . . . . 1.0 109.554 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 28.4 m -54.95 -38.66 68.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.567 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.461 ' H ' HG23 ' A' ' 628' ' ' THR . 54.6 p -73.78 158.41 34.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.283 -0.886 . . . . 1.0 109.584 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -149.07 99.6 2.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 1.0 109.29 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -123.15 147.3 46.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 1.0 109.267 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 634' ' ' THR . 0.0 OUTLIER -63.75 -38.52 91.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 1.0 109.492 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 697' ' ' GLY . 76.6 mt -59.26 -47.06 86.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 1.0 109.401 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -65.02 -43.54 92.15 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.85 78.06 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.86 84.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.461 -0.774 . . . . 1.0 109.399 178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -46.33 86.83 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 1.0 109.53 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.6 p -59.08 -40.94 86.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 1.0 109.872 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -46.49 90.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.295 -0.878 . . . . 1.0 109.917 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -67.52 -33.35 74.9 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.063 -1.023 . . . . 1.0 110.25 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -44.71 79.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.001 -1.062 . . . . 1.0 109.706 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.66 -31.63 72.54 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 1.0 109.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -63.99 -38.59 91.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.151 -1.055 . . . . 1.0 108.151 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.509 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.1 mtp -69.61 -37.45 76.86 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.481 -0.933 . . . . 1.0 108.481 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -59.63 -50.66 72.99 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.571 0.7 . . . . 1.0 109.381 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.41 -41.83 96.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.614 -0.679 . . . . 1.0 109.713 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.54 -36.86 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 1.0 109.585 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-30 -57.62 -50.92 71.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 1.0 109.873 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.54 -32.51 74.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 1.0 109.627 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' THR . . . . . 0.439 HG22 ' CD2' ' A' ' 656' ' ' HIS . 90.9 m -58.29 -40.83 83.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 1.0 109.186 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.4 -42.48 87.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.277 -0.889 . . . . 1.0 109.327 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 610' ' ' HIS . 87.8 t -62.14 -44.11 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.371 -0.831 . . . . 1.0 110.148 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 659' ' ' VAL . 74.8 t -65.43 -47.18 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 120.782 -1.199 . . . . 1.0 108.469 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' HIS . . . . . 0.439 ' CD2' HG22 ' A' ' 652' ' ' THR . 7.8 m-70 -58.73 -38.75 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.332 -0.988 . . . . 1.0 108.332 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.13 -45.12 26.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.0 109.545 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -56.07 -37.88 69.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -1.19 . . . . 1.0 109.468 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 662' ' ' SER . 79.3 t -65.83 -36.66 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 1.0 109.249 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 660' ' ' LEU . 2.1 tt -58.84 -35.51 73.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.0 109.273 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.63 -41.28 76.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.142 -0.974 . . . . 1.0 109.429 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 659' ' ' VAL . 23.9 t -156.27 157.02 35.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.236 -0.915 . . . . 1.0 109.508 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -131.48 77.0 0.4 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -54.06 -37.14 63.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -1.154 . . . . 1.0 109.422 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -53.33 -36.85 54.04 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.456 -1.457 . . . . 1.0 109.456 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 128.93 -172.67 19.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.08 146.03 60.99 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.97 2.447 . . . . 1.0 112.223 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 161.08 -4.95 0.09 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.446 -1.462 . . . . 1.0 109.446 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.408 ' CE1' ' CB ' ' A' ' 673' ' ' ASP . 0.3 OUTLIER -95.48 124.96 39.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -1.109 . . . . 1.0 109.43 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.59 -166.57 2.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 1.0 109.558 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.19 -24.85 63.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.878 . . . . 1.0 109.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -63.88 -49.26 73.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.282 -0.886 . . . . 1.0 109.619 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.408 ' CB ' ' CE1' ' A' ' 669' ' ' PHE . 49.2 m-20 -56.99 -36.79 70.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 1.0 109.821 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 678' ' ' VAL . 84.9 mt -61.51 -34.76 76.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.163 -0.96 . . . . 1.0 109.308 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -60.72 -35.57 76.66 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.43 -1.322 . . . . 1.0 107.43 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -71.03 -43.03 68.73 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.5 -46.97 62.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.089 -1.007 . . . . 1.0 108.857 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 674' ' ' LEU . 75.0 t -56.82 -30.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.11 61.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 1.0 109.15 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 11.4 m -64.43 -39.48 93.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.258 -0.901 . . . . 1.0 109.26 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.34 -33.86 68.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.51 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -73.83 -27.17 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.701 -1.249 . . . . 1.0 109.613 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.93 76.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.504 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -60.69 -54.29 56.03 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.246 -0.909 . . . . 1.0 112.354 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.566 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_endo -62.49 -42.72 25.58 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 121.771 1.647 . . . . 1.0 112.985 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.18 -42.68 93.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.056 -1.027 . . . . 1.0 108.869 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -73.43 -35.2 65.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.422 -0.799 . . . . 1.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.14 97.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.871 -1.143 . . . . 1.0 109.019 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.17 -37.95 88.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.427 -0.796 . . . . 1.0 109.987 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.98 -41.87 97.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.107 -0.996 . . . . 1.0 109.971 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.75 -34.62 76.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.954 -1.091 . . . . 1.0 108.859 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.32 69.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.368 -0.832 . . . . 1.0 109.009 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 16.5 m -68.85 -41.18 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 1.0 109.334 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.3 m-30 -65.22 -33.01 74.98 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.43 -37.46 80.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.15 -1.056 . . . . 1.0 108.15 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -66.12 -46.76 76.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.515 -0.74 . . . . 1.0 109.964 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' GLY . . . . . 0.49 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -54.56 -28.43 45.14 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.045 -1.222 . . . . 1.0 110.045 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.8 OUTLIER -109.24 3.07 21.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.922 -1.34 . . . . 1.0 109.597 -179.455 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -59.91 -23.83 63.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.0 109.509 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 18.9 m -69.63 -50.09 47.6 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.125 -0.984 . . . . 1.0 109.325 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.5 tp -103.48 -8.08 20.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 110.591 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 698' ' ' ASN . 32.8 tp -74.08 -27.31 60.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.777 -1.202 . . . . 1.0 108.657 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' A' ' 704' ' ' ARG . 31.7 m-85 -128.88 -63.54 0.96 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.335 -0.853 . . . . 1.0 109.496 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.539 ' C ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER -35.8 -48.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.239 -0.913 . . . . 1.0 109.303 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -120.11 138.93 53.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 1.0 109.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.66 100.31 0.58 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 1.0 109.552 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.69 -36.0 71.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 1.0 109.47 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.044 -0.979 . . . . 1.0 109.473 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.861 0 N-CA-C 119.448 2.539 . . . . 1.0 119.448 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 20.8 m -136.95 33.86 2.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.193 -1.181 . . . . 1.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 81.06 30.06 39.45 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.457 -1.457 . . . . 1.0 109.457 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 46.72 74.3 0.15 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.327 -1.102 . . . . 1.0 109.748 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -131.02 78.43 73.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.227 -0.921 . . . . 1.0 109.164 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.73 146.68 75.97 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.405 2.07 . . . . 1.0 112.329 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 48.9 mt -94.94 170.64 9.29 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 1.0 109.293 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -108.25 157.96 17.88 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.906 HD13 ' HB1' ' A' ' 699' ' ' ALA . 21.3 tp -57.41 -38.02 73.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.903 . . . . 1.0 109.122 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.39 -42.56 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.495 -0.753 . . . . 1.0 110.015 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.94 -44.81 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.723 -1.235 . . . . 1.0 107.892 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -62.2 -42.24 99.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.04 -0.726 . . . . 1.0 109.04 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.66 -42.44 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.069 -1.02 . . . . 1.0 108.985 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.65 -49.05 57.45 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.298 -0.876 . . . . 1.0 109.149 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 564' ' ' LEU . 32.3 m -59.71 -46.11 90.07 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.09 -1.006 . . . . 1.0 110.171 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.9 tm? -57.09 -48.77 77.8 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.067 -1.021 . . . . 1.0 110.034 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.402 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.18 -44.3 95.16 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.258 -0.901 . . . . 1.0 109.845 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.4 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 19.6 mtp-105 -68.64 -38.02 80.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.131 -0.981 . . . . 1.0 109.463 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.3 mp -71.05 -37.76 72.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.849 . . . . 1.0 109.175 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -62.52 -31.45 72.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 1.0 110.114 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -78.37 -44.15 25.75 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.144 -0.973 . . . . 1.0 108.787 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.782 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.5 -32.0 82.76 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.411 -1.475 . . . . 1.0 109.411 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 564' ' ' LEU . 92.3 t -72.11 -50.14 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.104 -1.233 . . . . 1.0 108.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.7 t -67.62 -38.94 84.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.278 -0.889 . . . . 1.0 108.963 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 93.6 m -62.48 -43.98 97.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.453 -0.78 . . . . 1.0 110.117 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 567' ' ' GLY . 67.4 p -68.31 -32.85 73.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.0 109.832 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 568' ' ' VAL . 70.1 t -62.8 -39.47 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.922 . . . . 1.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.42 81.45 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.052 -1.03 . . . . 1.0 108.303 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -58.85 -49.02 79.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.615 -0.678 . . . . 1.0 109.53 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 579' ' ' VAL . 60.8 tp -56.77 -45.53 82.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.408 -0.808 . . . . 1.0 109.505 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.55 -41.12 69.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 1.0 109.295 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -57.7 -41.32 81.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.268 -0.895 . . . . 1.0 108.894 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.12 -37.23 85.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.387 -0.821 . . . . 1.0 109.303 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 575' ' ' LEU . 72.0 t -57.91 -37.77 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.28 -0.888 . . . . 1.0 109.424 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -52.08 -35.74 42.01 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.506 -1.438 . . . . 1.0 109.506 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 69.9 m -85.57 5.03 33.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -1.162 . . . . 1.0 109.494 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -61.3 149.96 36.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 1.0 109.477 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.6 t -66.06 151.47 46.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.242 -0.911 . . . . 1.0 109.524 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -139.06 -167.25 10.88 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.588 -1.405 . . . . 1.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -51.81 145.81 30.34 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.846 2.364 . . . . 1.0 112.127 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -85.44 70.39 3.09 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 1.0 109.552 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.29 -33.4 58.18 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 589' ' ' ARG . 95.1 m95 -114.12 154.52 27.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -1.153 . . . . 1.0 109.458 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 588' ' ' TRP . 58.4 ttp180 55.33 104.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 1.0 109.523 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 78.3 p -68.9 173.06 5.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 1.0 109.574 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 4.5 m 57.24 48.74 14.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 1.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -70.57 166.21 21.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 1.0 109.763 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 593' ' ' GLU . 2.6 mm-40 -70.54 152.44 95.37 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.252 -0.905 . . . . 1.0 109.218 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 595' ' ' GLN . 41.9 Cg_endo -69.56 -178.27 2.19 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.357 2.038 . . . . 1.0 111.951 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 594' ' ' PRO . 82.9 mt-30 -60.0 -113.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 1.0 109.326 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 47.24 66.08 6.12 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 1.0 110.194 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -84.73 162.93 12.25 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.717 2.278 . . . . 1.0 112.126 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.28 95.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.477 2.118 . . . . 1.0 112.136 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.8 -41.5 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.296 -0.878 . . . . 1.0 109.921 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -54.45 -48.28 71.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 1.0 109.338 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -58.56 -32.71 69.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 1.0 109.445 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.51 -39.92 51.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.288 -0.882 . . . . 1.0 109.317 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -60.68 -37.66 82.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.459 -0.776 . . . . 1.0 109.68 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.41 76.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 1.0 110.091 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.3 63.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.225 -0.922 . . . . 1.0 110.227 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 610' ' ' HIS . 4.4 p -70.05 -37.77 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.97 -1.081 . . . . 1.0 109.737 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -63.38 -41.87 98.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 1.0 110.091 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.26 95.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 1.0 110.073 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.2 -45.77 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.99 -1.069 . . . . 1.0 109.146 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.728 ' CD2' HG22 ' A' ' 606' ' ' VAL . 15.6 m-70 -60.79 -37.28 81.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 1.0 109.302 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -68.15 -45.87 68.67 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 110.128 -1.189 . . . . 1.0 110.128 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.22 82.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.063 -1.257 . . . . 1.0 109.69 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CZ ' ' A' ' 650' ' ' TYR . 45.5 t -67.26 -44.25 87.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.129 -0.982 . . . . 1.0 108.75 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -53.99 -35.96 62.4 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.507 -0.923 . . . . 1.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.72 -35.67 73.04 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.69 -34.55 74.1 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.717 -0.846 . . . . 1.0 108.717 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 646' ' ' MET . 83.0 mt -75.2 -46.36 34.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.776 -0.578 . . . . 1.0 111.003 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -72.48 -46.76 53.3 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.74 -1.225 . . . . 1.0 110.95 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.738 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -68.15 -41.24 81.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.78 -1.2 . . . . 1.0 109.027 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.738 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.68 -40.27 95.1 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -58.6 -37.35 75.64 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.368 -0.975 . . . . 1.0 108.368 178.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 25.0 p -60.66 -37.67 82.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.541 -0.911 . . . . 1.0 108.541 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.32 91.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.39 -0.819 . . . . 1.0 109.192 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.02 -42.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 1.0 109.078 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 84.9 p -61.86 -33.7 74.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.292 -0.88 . . . . 1.0 109.77 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 87.0 p -81.81 -7.21 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 628' ' ' THR . . . -77.43 -139.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.736 -0.602 . . . . 1.0 110.071 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 627' ' ' ALA . 0.0 OUTLIER 53.9 100.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 1.0 109.672 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -167.92 -8.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.145 -0.972 . . . . 1.0 109.568 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 632' ' ' ASP . 3.9 t -143.32 -167.12 2.48 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 1.0 109.609 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.502 ' N ' HG23 ' A' ' 630' ' ' THR . 58.5 m -72.23 22.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 1.0 109.499 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 630' ' ' THR . 87.6 m-20 51.89 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.89 . . . . 1.0 109.466 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -70.32 174.79 5.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.0 109.518 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.2 p -60.44 -25.33 65.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.25 -0.906 . . . . 1.0 110.084 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.39 -44.52 80.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.122 -0.986 . . . . 1.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.79 -46.07 91.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.056 -1.028 . . . . 1.0 108.385 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.08 77.62 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.17 91.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.6 -0.688 . . . . 1.0 109.828 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.552 HD22 HD21 ' A' ' 698' ' ' ASN . 37.8 tp -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 1.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.0 m -64.94 -41.19 95.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.247 -0.908 . . . . 1.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 641' ' ' ARG . 0.2 OUTLIER -61.97 -46.02 91.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.807 -1.183 . . . . 1.0 110.256 -179.096 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.521 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 89.6 mt-30 -76.59 -38.58 54.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.029 -1.044 . . . . 1.0 110.217 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.35 -48.28 65.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.012 -1.055 . . . . 1.0 110.036 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.21 -34.99 78.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 1.0 109.293 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 649' ' ' VAL . 13.4 ttpt -61.59 -36.65 81.28 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.591 -1.262 . . . . 1.0 107.591 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.491 ' CE ' HD21 ' A' ' 617' ' ' LEU . 0.6 OUTLIER -68.88 -32.45 72.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.375 -0.972 . . . . 1.0 108.375 179.263 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -74.42 -44.59 51.21 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.592 0.71 . . . . 1.0 109.224 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 652' ' ' THR . 42.0 t0 -60.87 -43.27 98.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 650' ' ' TYR . 31.2 m -67.95 -43.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.317 -0.864 . . . . 1.0 109.822 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.723 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.1 OUTLIER -61.16 -35.53 77.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.925 -1.11 . . . . 1.0 109.937 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.54 -33.62 71.35 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.911 -1.118 . . . . 1.0 109.424 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 648' ' ' ASP . 71.6 p -73.16 -35.76 66.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 1.0 109.058 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.55 -34.51 72.32 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.393 -0.817 . . . . 1.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.2 t -60.57 -44.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.18 -0.95 . . . . 1.0 109.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 t -68.7 -43.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.923 -1.111 . . . . 1.0 108.722 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.59 -40.98 98.35 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.87 -38.71 40.88 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 7.1 mm-40 -55.82 -29.41 59.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.599 -1.53 . . . . 1.0 109.407 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.9 t -63.11 -39.49 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.308 -0.87 . . . . 1.0 109.639 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.25 -36.54 73.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.134 -0.979 . . . . 1.0 109.721 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 662' ' ' SER . 65.6 t0 -76.52 133.48 39.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -0.92 . . . . 1.0 109.655 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 661' ' ' ASP . 1.3 p 74.76 126.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.24 -0.912 . . . . 1.0 109.529 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -157.23 108.44 0.36 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -54.87 -38.37 67.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.299 -1.118 . . . . 1.0 109.494 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 143.21 -32.39 1.88 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.687 -1.365 . . . . 1.0 109.687 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -62.55 -171.83 1.46 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.47 140.25 28.11 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.053 2.502 . . . . 1.0 112.444 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -152.53 -95.54 0.12 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 21.2 p90 -137.6 168.76 19.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -1.164 . . . . 1.0 109.471 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' THR . . . . . 0.733 HG23 ' H ' ' A' ' 672' ' ' ASP . 12.4 t -138.59 174.55 10.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.144 -0.973 . . . . 1.0 110.2 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 88.4 mt -51.98 -24.21 6.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 1.0 109.62 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' ASP . . . . . 0.733 ' H ' HG23 ' A' ' 670' ' ' THR . 20.0 t70 -67.99 -46.09 72.3 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.304 -0.872 . . . . 1.0 108.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.1 -36.02 72.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.58 -0.7 . . . . 1.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 674' ' ' LEU . 4.2 mm? -64.37 -34.41 78.1 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.328 -0.858 . . . . 1.0 108.975 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.79 -34.65 74.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.906 -1.516 . . . . 1.0 106.906 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -71.59 -43.23 66.63 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.06 -46.69 61.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 1.0 108.561 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.97 -32.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.52 68.05 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.7 m -65.95 -35.65 81.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.284 -0.885 . . . . 1.0 109.189 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.641 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -59.22 -35.52 73.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.848 . . . . 1.0 110.546 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -77.77 -29.24 50.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.773 -1.205 . . . . 1.0 110.221 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.7 -47.34 63.54 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.04 -1.037 . . . . 1.0 111.527 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -57.54 -51.82 78.9 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 120.932 -1.105 . . . . 1.0 112.43 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.641 ' CD ' ' O ' ' A' ' 681' ' ' SER . 14.8 Cg_endo -59.12 -42.53 50.04 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 121.834 1.689 . . . . 1.0 112.634 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -74.9 -29.5 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.748 . . . . 1.0 109.137 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.01 90.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 1.0 108.765 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -64.67 -42.77 95.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.465 -0.772 . . . . 1.0 109.149 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -67.6 -40.65 84.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.9 . . . . 1.0 108.811 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.23 -36.52 77.9 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.676 -0.861 . . . . 1.0 108.676 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.515 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.19 -37.61 77.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 1.0 109.514 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 27.6 t -64.98 -37.72 88.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.958 . . . . 1.0 109.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.552 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.7 m-85 -66.25 -39.06 89.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 1.0 109.23 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -60.82 -37.8 83.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.092 -1.005 . . . . 1.0 108.696 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 50.5 m80 -66.08 -44.08 85.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 1.0 110.501 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -61.89 -24.6 64.86 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.924 -1.27 . . . . 1.0 109.924 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.552 HD21 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -116.38 4.77 13.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -1.181 . . . . 1.0 109.702 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.906 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -50.75 -39.29 51.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.122 -0.986 . . . . 1.0 109.162 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.0 t -50.79 -38.53 48.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.396 -0.815 . . . . 1.0 110.417 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 701' ' ' LEU . 28.6 tp -89.57 -41.95 11.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.953 -1.092 . . . . 1.0 111.105 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 59.5 mt -52.84 -34.08 52.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.669 -1.27 . . . . 1.0 108.253 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 4.7 m-85 -123.57 -72.8 0.66 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.503 -0.748 . . . . 1.0 109.272 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 29.0 ttt-85 75.53 106.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.05 . . . . 1.0 109.789 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 143.89 57.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.0 109.451 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 706' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 708' ' ' ALA . 0.1 OUTLIER -131.95 0.25 3.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.0 109.437 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 53.52 -86.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 1.0 109.396 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 708' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 706' ' ' THR . . . . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.091 -0.957 . . . . 1.0 109.554 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.842 0 N-CA-C 119.399 2.52 . . . . 1.0 119.399 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 66.8 m 47.13 29.21 1.09 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.203 -1.175 . . . . 1.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.4 32.77 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -147.93 156.97 43.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -1.102 . . . . 1.0 109.455 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.01 153.29 60.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.45 -164.99 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.533 2.155 . . . . 1.0 112.371 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.98 -178.57 1.62 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.413 -0.804 . . . . 1.0 109.27 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 49.2 mp0 -106.61 155.17 19.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.0 109.183 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.58 -36.59 71.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.267 -0.896 . . . . 1.0 110.178 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.11 -39.55 92.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.986 -1.072 . . . . 1.0 110.395 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.48 -43.9 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 1.0 107.72 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.99 97.89 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.321 -0.992 . . . . 1.0 108.321 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.4 -42.1 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.46 -0.775 . . . . 1.0 109.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.4 -49.22 44.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 1.0 109.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 23.9 m -60.9 -43.47 98.46 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.123 -0.986 . . . . 1.0 109.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.6 tm? -56.01 -48.91 75.04 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.055 -1.028 . . . . 1.0 108.591 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.43 -45.98 91.67 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.534 -0.729 . . . . 1.0 109.074 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -62.56 -37.65 86.99 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.36 -0.838 . . . . 1.0 108.926 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 616' ' ' LEU . 3.3 mp -68.51 -38.2 80.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.503 -0.748 . . . . 1.0 109.664 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' GLN . . . . . 0.434 ' NE2' HD11 ' A' ' 561' ' ' LEU . 52.3 mt-30 -64.07 -28.4 69.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 1.0 110.026 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.49 -47.67 16.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.125 -0.984 . . . . 1.0 108.727 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.692 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.28 -34.06 88.93 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.426 -1.47 . . . . 1.0 109.426 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 564' ' ' LEU . 77.2 t -72.19 -49.73 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -1.19 . . . . 1.0 108.674 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 26.5 t -66.17 -40.48 90.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0 109.084 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 65.9 m -63.24 -42.51 99.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.495 -0.753 . . . . 1.0 110.28 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 567' ' ' GLY . 41.1 p -68.2 -37.7 81.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.15 -0.969 . . . . 1.0 109.663 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.419 HG13 ' OG ' ' A' ' 681' ' ' SER . 42.7 t -70.21 -40.76 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.862 . . . . 1.0 109.144 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.94 84.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 1.0 109.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' HIS . . . . . 0.77 ' NE2' HD11 ' A' ' 578' ' ' LEU . 36.3 t60 -58.9 -51.76 68.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 1.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.48 -45.7 84.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 1.0 109.657 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.65 -29.61 70.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0 109.487 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.2 -35.43 71.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.171 -0.956 . . . . 1.0 109.306 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.77 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.73 -35.24 79.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 1.0 109.744 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 582' ' ' ALA . 62.0 t -56.24 -40.33 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.094 -1.004 . . . . 1.0 109.645 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -57.95 -38.36 88.66 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.74 -1.344 . . . . 1.0 109.74 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 p -96.05 10.61 36.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.15 -1.206 . . . . 1.0 109.604 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 579' ' ' VAL . . . -138.02 158.96 43.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 1.0 109.62 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 582' ' ' ALA . 10.5 p 56.08 104.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 1.0 109.444 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -69.6 166.28 49.11 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.518 -1.433 . . . . 1.0 109.518 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -28.95 84.3 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.758 2.305 . . . . 1.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 143.57 173.4 15.07 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.522 -1.431 . . . . 1.0 109.522 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 82.44 -161.18 40.64 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -99.5 139.94 34.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -1.17 . . . . 1.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -163.15 109.01 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 1.0 109.421 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 46.8 m -63.57 -35.43 80.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.925 . . . . 1.0 109.403 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 25.2 m -54.82 -39.43 68.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 1.0 109.537 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.1 t -102.34 138.23 39.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 1.0 109.549 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.3 156.06 66.3 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.224 -0.923 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.48 -15.97 38.46 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.712 2.274 . . . . 1.0 112.216 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -123.66 -147.98 0.39 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.152 -0.968 . . . . 1.0 109.474 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -126.77 78.99 72.71 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.16 -0.963 . . . . 1.0 110.111 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.419 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 17.0 Cg_exo -55.55 -43.27 59.56 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 121.963 1.776 . . . . 1.0 113.689 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 91.7 Cg_endo -83.95 65.84 7.16 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 121.827 1.685 . . . . 1.0 112.002 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.48 -33.53 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 1.0 109.589 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -57.29 -43.44 83.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.275 -0.89 . . . . 1.0 108.991 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -60.32 -42.85 96.46 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.422 -0.799 . . . . 1.0 109.264 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 -41.71 43.32 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.382 -0.824 . . . . 1.0 109.421 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -59.86 -39.73 86.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -0.864 . . . . 1.0 109.701 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.15 69.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.223 -0.923 . . . . 1.0 109.769 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.33 70.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 1.0 110.08 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.462 HG21 ' HA3' ' A' ' 657' ' ' GLY . 9.7 p -69.5 -36.06 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.972 -1.08 . . . . 1.0 109.723 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.88 77.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.962 . . . . 1.0 109.957 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.6 -50.71 41.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.0 110.103 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.566 HG23 ' OG1' ' A' ' 571' ' ' THR . 1.2 p -60.2 -41.13 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 1.0 109.382 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 9.0 m80 -61.23 -38.08 85.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 1.0 109.39 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -72.42 -43.65 44.74 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.591 -1.404 . . . . 1.0 109.591 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.42 73.44 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.074 -1.251 . . . . 1.0 109.307 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.809 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.6 p -67.01 -45.38 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 1.0 109.001 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' HIS . . . . . 0.579 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 83.3 t60 -53.79 -30.76 46.23 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 1.0 108.693 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -27.05 64.45 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.9 tt -70.56 -33.01 70.64 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.597 -1.26 . . . . 1.0 107.597 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.9 OUTLIER -77.08 -37.82 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -72.16 -50.63 26.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.156 -0.965 . . . . 1.0 109.796 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.732 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -65.45 -39.69 92.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 1.0 109.297 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.732 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.47 -39.42 91.96 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.572 -1.27 . . . . 1.0 107.572 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -35.87 78.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.3 t -59.42 -38.82 81.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 108.998 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 1.0 110.112 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 627' ' ' ALA . 77.3 t -65.74 -39.27 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.354 -0.841 . . . . 1.0 109.969 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 48.5 m -60.74 156.57 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.909 -1.119 . . . . 1.0 109.184 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 626' ' ' SER . 0.0 OUTLIER 56.92 16.37 2.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.524 -0.735 . . . . 1.0 109.769 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 624' ' ' VAL . . . -70.72 -81.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 1.0 109.268 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 11.9 p -129.17 162.8 26.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.0 109.567 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.64 -85.55 0.22 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 1.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 48.1 p -117.89 11.76 13.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.246 -0.909 . . . . 1.0 109.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 18.0 t -57.52 -34.45 69.12 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.224 -0.923 . . . . 1.0 109.424 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 51.95 45.59 28.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.204 -0.935 . . . . 1.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -64.21 151.18 44.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.214 -0.929 . . . . 1.0 109.417 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 44.1 p -64.28 -27.69 69.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.0 109.479 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.583 HD22 ' OD1' ' A' ' 698' ' ' ASN . 11.8 mt -57.83 -45.63 85.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 1.0 109.566 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -63.84 -42.92 97.49 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.32 76.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.745 -0.835 . . . . 1.0 108.745 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -47.05 79.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.427 -0.796 . . . . 1.0 109.554 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.03 -46.88 79.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.246 -0.909 . . . . 1.0 109.605 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 94.9 p -63.74 -36.09 82.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.23 -0.919 . . . . 1.0 109.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.56 -47.45 85.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.272 -0.893 . . . . 1.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 90.5 mt-30 -71.88 -41.6 67.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.295 -0.878 . . . . 1.0 110.014 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 643' ' ' LEU . 3.3 tt -54.14 -48.27 71.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.259 -0.901 . . . . 1.0 109.816 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -60.04 -32.2 70.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.961 . . . . 1.0 108.901 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttmt -62.46 -36.85 83.75 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 44.8 mmm -69.83 -38.27 76.47 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.478 ' OE2' HD23 ' A' ' 617' ' ' LEU . 62.6 mm-40 -60.74 -50.14 74.67 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 1.0 108.739 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.69 -42.44 86.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.766 -0.584 . . . . 1.0 109.812 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 645' ' ' LYS . 74.7 t -70.06 -40.03 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 1.0 110.068 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -58.17 -41.59 84.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 1.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.72 -32.05 72.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.094 -1.004 . . . . 1.0 109.332 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 59.4 m -57.8 -41.91 83.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.25 -38.67 85.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.344 -0.848 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.87 -43.73 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.075 -1.016 . . . . 1.0 109.195 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.44 -47.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -38.34 78.22 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.462 ' HA3' HG21 ' A' ' 606' ' ' VAL . . . -73.5 -47.24 22.46 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.429 -1.468 . . . . 1.0 109.429 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -57.0 -37.41 71.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.165 -1.197 . . . . 1.0 109.64 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.35 -31.35 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 1.0 109.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.555 ' O ' ' CE2' ' A' ' 669' ' ' PHE . 5.4 tt -55.78 -31.75 62.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 1.0 109.373 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -65.71 120.51 13.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 82.0 p -95.19 161.75 13.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.183 -0.948 . . . . 1.0 109.521 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -144.82 -169.65 13.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -54.74 -38.8 67.58 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 1.0 109.444 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -90.73 -175.18 44.35 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.621 -1.392 . . . . 1.0 109.621 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -139.3 71.73 0.44 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.597 -1.401 . . . . 1.0 109.597 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -53.13 -28.44 41.35 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.049 2.499 . . . . 1.0 112.49 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 141.86 99.47 0.35 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.489 -1.444 . . . . 1.0 109.489 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 660' ' ' LEU . 0.9 OUTLIER -170.59 109.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -1.167 . . . . 1.0 109.452 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.2 p -136.04 -178.07 4.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -1.0 . . . . 1.0 110.12 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' LEU . . . . . 0.812 ' H ' HD23 ' A' ' 671' ' ' LEU . 0.1 OUTLIER -55.26 -24.11 26.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 1.0 109.783 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -62.42 -47.79 82.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.225 -0.922 . . . . 1.0 109.128 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.59 -34.17 66.92 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.327 -0.858 . . . . 1.0 109.394 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.6 -39.45 88.18 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.139 -0.976 . . . . 1.0 109.392 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.67 -35.92 77.44 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.276 -1.379 . . . . 1.0 107.276 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.33 -38.51 63.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 677' ' ' LEU . 2.9 tm? -69.12 -49.86 53.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 1.0 108.476 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.407 ' N ' HD13 ' A' ' 677' ' ' LEU . 53.9 t -55.56 -30.88 27.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 107.962 -1.125 . . . . 1.0 107.962 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.7 65.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.533 -0.729 . . . . 1.0 109.16 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 56.6 m -63.56 -40.44 97.01 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.151 -0.968 . . . . 1.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.595 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 8.4 t -57.35 -33.24 67.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.34 -0.85 . . . . 1.0 111.297 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -28.26 60.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.287 -1.508 . . . . 1.0 110.128 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.61 -39.07 74.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 1.0 111.242 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -60.91 -53.07 67.64 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.019 -1.051 . . . . 1.0 111.991 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.595 ' CD ' ' O ' ' A' ' 681' ' ' SER . 20.1 Cg_endo -61.78 -42.9 28.79 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.95 1.766 . . . . 1.0 112.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.86 -43.09 80.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.0 108.624 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' ASP . . . . . 0.476 ' OD2' ' SD ' ' A' ' 646' ' ' MET . 51.4 t0 -72.3 -34.8 68.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 1.0 109.641 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.47 93.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.125 -0.984 . . . . 1.0 108.728 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -66.89 -41.48 87.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.559 -0.713 . . . . 1.0 109.383 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.76 -43.3 84.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.269 -0.894 . . . . 1.0 108.822 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.04 -33.21 68.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -66.85 -32.11 73.16 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 29.0 m -67.23 -42.19 84.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -0.829 . . . . 1.0 109.311 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.0 m-85 -65.1 -37.8 88.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 1.0 108.852 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 699' ' ' ALA . 12.4 mt -64.02 -36.44 84.01 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.201 -0.937 . . . . 1.0 108.539 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -68.86 -48.64 62.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.564 -0.71 . . . . 1.0 110.189 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -57.17 -25.43 54.14 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.898 -1.281 . . . . 1.0 109.898 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.583 ' OD1' HD22 ' A' ' 635' ' ' LEU . 0.4 OUTLIER -118.1 2.21 12.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -1.186 . . . . 1.0 109.502 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -53.53 -36.07 61.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 1.0 109.756 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 90.4 p -50.92 -35.92 35.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 1.0 109.772 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.2 mp -87.23 -43.12 12.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.077 -1.014 . . . . 1.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.14 -36.45 40.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.951 -1.093 . . . . 1.0 108.93 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.3 m-85 -118.32 -70.8 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 32.5 ttt180 72.95 101.93 0.07 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.651 -0.656 . . . . 1.0 109.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -72.3 148.87 44.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.846 . . . . 1.0 109.257 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.12 112.65 11.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 1.0 109.471 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 707' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 708' ' ' ALA . 47.5 mttp 46.22 -156.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 1.0 109.454 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 708' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 707' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.047 -0.978 . . . . 1.0 109.444 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.456 2.542 . . . . 1.0 119.456 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 29.5 t -140.75 149.32 41.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.139 -1.213 . . . . 1.0 109.554 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 151.01 53.54 0.01 OUTLIER Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -57.79 -32.21 67.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -1.163 . . . . 1.0 109.419 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -128.31 80.16 72.82 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.136 -0.977 . . . . 1.0 110.244 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -62.49 159.2 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.728 2.285 . . . . 1.0 112.61 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.696 HD22 HG11 ' A' ' 556' ' ' VAL . 39.5 mt -98.07 137.33 37.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.28 -0.887 . . . . 1.0 109.326 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -98.86 178.94 4.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.423 -0.798 . . . . 1.0 108.914 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 554' ' ' LEU . 6.3 mp -56.33 -41.45 76.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.344 -0.848 . . . . 1.0 110.465 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.65 -44.88 96.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.115 -0.99 . . . . 1.0 110.702 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.696 HG11 HD22 ' A' ' 552' ' ' LEU . 99.6 t -65.73 -45.47 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.787 -1.196 . . . . 1.0 107.955 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -63.93 -40.66 96.97 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.576 -0.702 . . . . 1.0 109.32 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.44 -43.71 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 1.0 109.239 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.56 -48.69 46.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.181 -0.949 . . . . 1.0 109.354 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.8 m -59.98 -42.69 94.73 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.062 -1.024 . . . . 1.0 110.336 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 561' ' ' LEU . 7.7 tt -58.67 -48.37 81.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.957 -1.089 . . . . 1.0 109.985 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.6 83.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 1.0 110.638 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -61.44 -40.72 95.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 1.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 615' ' ' GLU . 3.9 mp -72.05 -37.66 69.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.075 -1.016 . . . . 1.0 109.302 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -30.27 70.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.428 -0.795 . . . . 1.0 110.808 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -77.53 -41.44 39.17 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.865 -1.147 . . . . 1.0 109.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 571' ' ' THR . . . -58.77 -33.4 72.79 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.167 -1.573 . . . . 1.0 109.167 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 572' ' ' VAL . 92.5 t -70.07 -48.58 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.101 -1.235 . . . . 1.0 108.726 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.5 p -66.02 -42.89 89.07 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.368 -0.833 . . . . 1.0 109.028 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.1 m -62.27 -42.48 99.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.445 -0.784 . . . . 1.0 110.207 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 567' ' ' GLY . 51.6 p -68.04 -33.28 74.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.074 -1.016 . . . . 1.0 109.75 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.751 HG13 ' OG ' ' A' ' 681' ' ' SER . 68.8 t -66.1 -38.53 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.162 -0.962 . . . . 1.0 109.247 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.53 91.82 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.164 -0.96 . . . . 1.0 108.467 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -58.81 -50.66 73.13 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.703 -0.623 . . . . 1.0 109.594 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 575' ' ' LEU . 6.7 tt -57.89 -48.97 78.29 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.432 -0.792 . . . . 1.0 109.663 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.79 -41.02 72.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 1.0 109.62 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.71 -41.6 95.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 1.0 109.524 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.07 -42.7 84.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 1.0 109.665 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.55 -35.56 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 1.0 109.491 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -51.3 -29.74 23.39 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 84.5 p -63.06 -21.86 66.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -1.126 . . . . 1.0 109.438 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.16 77.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.26 -0.9 . . . . 1.0 109.479 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 580' ' ' GLY . 84.4 p -146.08 159.5 43.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 1.0 109.516 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -110.51 165.32 12.23 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.566 -1.414 . . . . 1.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -63.16 -23.59 73.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.826 2.351 . . . . 1.0 112.171 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -69.06 146.19 44.23 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.614 -1.394 . . . . 1.0 109.614 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -83.37 9.46 61.36 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.528 -1.429 . . . . 1.0 109.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' TRP . . . . . 0.522 ' CE2' ' O ' ' A' ' 589' ' ' ARG . 0.3 OUTLIER -65.89 144.1 57.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -1.156 . . . . 1.0 109.387 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.522 ' O ' ' CE2' ' A' ' 588' ' ' TRP . 70.3 mtm180 -108.16 140.28 41.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.269 -0.895 . . . . 1.0 109.311 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 31.0 t -108.44 143.29 37.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.247 -0.908 . . . . 1.0 109.509 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 592' ' ' SER . 8.9 t -74.74 163.27 27.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.137 -0.977 . . . . 1.0 109.492 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 591' ' ' THR . 1.6 m 48.63 94.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 1.0 109.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 61.2 33.15 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.249 -0.907 . . . . 1.0 109.444 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.96 -4.7 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.728 2.285 . . . . 1.0 112.208 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 45.84 -115.11 0.51 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 1.0 109.581 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 48.4 mt-10 52.19 50.84 8.78 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.183 -0.948 . . . . 1.0 110.245 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 29.9 Cg_endo -66.51 163.57 32.05 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 C-N-CA 122.379 2.053 . . . . 1.0 111.909 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.66 128.37 23.72 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.45 2.1 . . . . 1.0 112.124 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.02 -34.53 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 1.0 109.665 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -58.76 -44.7 90.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.189 -0.944 . . . . 1.0 109.459 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.25 -45.72 92.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.316 -0.865 . . . . 1.0 109.121 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.16 -43.25 58.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.416 -0.803 . . . . 1.0 109.008 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LYS . . . . . 0.437 ' NZ ' ' OD2' ' A' ' 661' ' ' ASP . 72.8 tttt -61.1 -38.53 86.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.384 -0.823 . . . . 1.0 109.443 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.76 76.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 1.0 109.843 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.19 80.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.0 110.258 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.52 HG22 ' CD2' ' A' ' 610' ' ' HIS . 8.0 p -70.09 -36.49 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 1.0 109.843 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -65.96 -33.57 76.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.157 -0.965 . . . . 1.0 109.742 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.46 -51.4 43.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 1.0 110.342 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.436 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.7 OUTLIER -59.53 -38.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 1.0 109.713 -179.139 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 6.4 m-70 -65.45 -30.08 70.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 1.0 109.133 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -75.55 -46.01 16.24 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 110.078 -1.209 . . . . 1.0 110.078 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.67 74.33 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.951 -1.323 . . . . 1.0 109.554 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.726 HG22 ' CE2' ' A' ' 650' ' ' TYR . 3.0 p -63.93 -43.58 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.0 109.189 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 614' ' ' HIS . . . . . 0.551 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 13.7 m80 -55.33 -30.39 60.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.926 . . . . 1.0 108.933 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 564' ' ' LEU . 73.5 mm-40 -63.91 -33.62 76.12 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.918 -1.142 . . . . 1.0 107.918 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -41.36 71.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.782 HD21 ' CD ' ' A' ' 647' ' ' GLU . 28.7 tp -76.99 -37.91 54.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.933 -0.479 . . . . 1.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.12 -46.57 56.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.88 -1.137 . . . . 1.0 111.706 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.3 OUTLIER -65.25 -45.3 85.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.481 -1.387 . . . . 1.0 108.959 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.669 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.305 -0.872 . . . . 1.0 109.814 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -63.19 -35.86 81.72 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.57 -1.331 . . . . 1.0 108.362 178.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 29.3 p -60.09 -33.41 72.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.693 -1.225 . . . . 1.0 107.693 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 620' ' ' ALA . . . -63.86 -36.55 84.28 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.168 -0.679 . . . . 1.0 109.168 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.73 -41.76 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 17.9 t -58.77 -40.09 82.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.0 109.628 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 50.8 m -62.56 -33.42 74.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.574 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.415 ' HB2' HD23 ' A' ' 702' ' ' LEU . . . -53.29 143.89 17.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.0 109.555 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 64.6 m -100.48 143.74 30.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 1.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -74.82 137.75 42.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 1.0 109.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 631' ' ' SER . 0.5 OUTLIER -140.15 -80.43 0.28 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 1.0 109.371 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.499 ' N ' ' OG1' ' A' ' 630' ' ' THR . 2.9 t -144.6 45.95 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 1.0 109.43 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 52.2 50.38 18.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.87 . . . . 1.0 109.473 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -47.61 152.89 0.62 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 1.0 109.55 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 73.1 p -60.7 -37.99 83.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 1.0 109.84 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.786 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -59.44 -49.38 78.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.875 . . . . 1.0 109.649 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 636' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 640' ' ' SER . 39.2 t-80 -59.26 -38.18 79.44 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.901 ' HB1' HH21 ' A' ' 641' ' ' ARG . . . -66.11 -51.29 59.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.431 -0.951 . . . . 1.0 108.431 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -60.5 -39.57 88.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.507 -0.745 . . . . 1.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 639' ' ' LEU . 1.8 tt -79.04 -46.21 18.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 1.0 109.649 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 636' ' ' HIS . 66.3 m -58.9 -46.46 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 1.0 109.796 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 641' ' ' ARG . . . . . 0.901 HH21 ' HB1' ' A' ' 637' ' ' ALA . 19.5 ptp180 -64.37 -41.67 96.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.282 -0.886 . . . . 1.0 110.378 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.657 ' NE2' ' CD2' ' A' ' 694' ' ' PHE . 7.5 tt0 -73.97 -30.43 62.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 1.0 109.981 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.01 -50.62 47.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.374 -0.829 . . . . 1.0 110.25 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.48 -38.31 90.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.205 -0.934 . . . . 1.0 109.276 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.97 -36.23 83.73 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.91 -1.145 . . . . 1.0 107.91 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.757 ' SD ' HD12 ' A' ' 691' ' ' LEU . 2.2 ttm -68.11 -38.78 82.64 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.782 ' CD ' HD21 ' A' ' 617' ' ' LEU . 61.9 mm-40 -60.88 -51.44 69.27 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.718 0.77 . . . . 1.0 109.064 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -57.73 -39.83 78.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.586 -0.696 . . . . 1.0 109.646 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 645' ' ' LYS . 78.0 t -71.61 -42.97 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.42 -0.8 . . . . 1.0 110.33 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.726 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.1 m-85 -58.22 -41.74 84.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.93 -1.106 . . . . 1.0 109.943 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.08 -32.7 70.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 1.0 109.104 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 71.2 m -58.6 -42.04 87.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.603 HD22 ' SG ' ' A' ' 680' ' ' CYS . 63.3 mt -66.52 -35.8 81.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.383 -0.823 . . . . 1.0 109.546 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 658' ' ' GLN . 91.6 t -60.61 -43.82 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.228 -0.92 . . . . 1.0 109.385 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.81 -46.1 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 1.0 108.474 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.58 -38.5 87.77 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 107.758 -1.201 . . . . 1.0 107.758 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.42 -39.0 43.79 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.5 mm-40 -54.49 -27.01 34.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -1.198 . . . . 1.0 109.615 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 65.1 t -62.16 -38.83 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 1.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.464 HD11 HD12 ' A' ' 677' ' ' LEU . 9.6 mt -71.32 70.8 0.61 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.31 -0.868 . . . . 1.0 108.989 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 662' ' ' SER . 55.4 t0 -170.4 -129.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.555 -0.716 . . . . 1.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' A' ' 661' ' ' ASP . 60.7 p -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.15 -0.969 . . . . 1.0 109.58 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 146.03 122.12 1.42 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.544 -1.422 . . . . 1.0 109.544 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -135.9 136.77 40.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.231 -1.159 . . . . 1.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 153.15 -82.0 0.17 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.558 -1.417 . . . . 1.0 109.558 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -88.51 -173.76 47.14 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.473 -1.451 . . . . 1.0 109.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.72 -18.47 15.97 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 123.066 2.51 . . . . 1.0 112.209 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 82.86 -107.26 2.85 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.58 -1.408 . . . . 1.0 109.58 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 13.8 p90 -135.41 163.58 29.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -1.128 . . . . 1.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 672' ' ' ASP . 9.5 t -145.29 -173.27 4.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.333 -0.854 . . . . 1.0 109.463 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.08 -25.22 20.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 1.0 109.327 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' ASP . . . . . 0.867 ' H ' HG23 ' A' ' 670' ' ' THR . 55.2 t0 -68.15 -45.55 73.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.249 -0.907 . . . . 1.0 109.264 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.7 -36.64 69.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.924 . . . . 1.0 109.417 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.74 -35.38 80.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 1.0 109.043 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.66 -37.86 79.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -70.74 -39.2 73.46 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.135 -0.691 . . . . 1.0 109.135 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.7 tt -70.52 -48.14 57.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.119 -0.988 . . . . 1.0 108.494 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.04 -31.69 31.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.617 -1.253 . . . . 1.0 107.617 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.86 79.92 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.603 ' SG ' HD22 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -63.29 -41.45 98.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.572 -0.705 . . . . 1.0 109.455 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.751 ' OG ' HG13 ' A' ' 572' ' ' VAL . 12.9 t -57.05 -33.89 67.69 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.392 -0.818 . . . . 1.0 111.244 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -76.75 -30.86 56.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.346 -1.471 . . . . 1.0 109.888 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.37 67.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 1.0 111.492 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.453 HG23 HD11 ' A' ' 653' ' ' LEU . 1.0 OUTLIER -61.83 -49.29 86.56 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 120.838 -1.164 . . . . 1.0 112.208 -176.357 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.646 ' HG3' HG21 ' A' ' 572' ' ' VAL . 16.9 Cg_exo -63.12 -43.38 19.21 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 121.887 1.725 . . . . 1.0 112.205 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 -41.52 84.24 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.188 -0.945 . . . . 1.0 108.665 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.95 -38.7 61.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.584 -0.698 . . . . 1.0 109.858 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.92 99.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.132 -0.98 . . . . 1.0 108.822 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.77 -36.03 82.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.445 -0.784 . . . . 1.0 109.067 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -64.38 -44.31 91.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.331 -0.856 . . . . 1.0 109.01 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.757 HD12 ' SD ' ' A' ' 646' ' ' MET . 1.4 tt -61.39 -35.96 78.94 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 561' ' ' LEU . . . -57.66 -35.87 71.14 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.287 -0.883 . . . . 1.0 108.875 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 67.8 p -70.03 -38.35 75.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 1.0 109.617 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.657 ' CD2' ' NE2' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.48 -39.46 91.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 1.0 108.703 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.599 ' O ' ' N ' ' A' ' 699' ' ' ALA . 0.9 OUTLIER -63.4 -36.33 83.36 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.353 -0.842 . . . . 1.0 108.766 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -70.78 -50.11 39.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.406 -0.809 . . . . 1.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.52 -24.04 59.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.213 -1.555 . . . . 1.0 109.213 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -113.44 -2.22 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -1.033 . . . . 1.0 109.549 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.28 -39.18 56.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 1.0 109.587 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 700' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 704' ' ' ARG . 85.6 p -51.6 -37.52 50.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 1.0 109.314 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.23 -41.9 13.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.137 -0.977 . . . . 1.0 110.474 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 639' ' ' LEU . 49.9 mt -56.79 -32.77 66.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.732 -1.23 . . . . 1.0 108.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 8.7 m-85 -120.84 -79.91 0.61 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.447 -0.783 . . . . 1.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 700' ' ' SER . 58.2 ttm-85 -172.33 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.775 -1.203 . . . . 1.0 110.022 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 705' ' ' ARG . . . . . 0.435 ' HD3' ' H ' ' A' ' 708' ' ' ALA . 0.0 OUTLIER -161.42 -62.75 0.05 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.05 -1.031 . . . . 1.0 109.551 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 44.1 p 46.48 39.21 6.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.299 -0.876 . . . . 1.0 109.453 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 60.2 tttm 51.86 60.48 3.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 1.0 109.508 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' ALA . . . . . 0.435 ' H ' ' HD3' ' A' ' 705' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.986 -1.007 . . . . 1.0 109.455 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.831 0 N-CA-C 119.439 2.536 . . . . 1.0 119.439 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 19.6 m -58.32 -35.42 71.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -1.124 . . . . 1.0 109.438 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 550' ' ' GLU . . . 90.45 -63.71 2.98 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 61.1 -72.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -1.14 . . . . 1.0 109.565 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 548' ' ' GLY . 1.1 tt0 52.17 91.01 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 1.0 109.408 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.9 -165.29 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.977 1.784 . . . . 1.0 112.247 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.58 141.76 33.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.266 -0.896 . . . . 1.0 109.459 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -93.19 172.64 8.17 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.525 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.7 tp -58.15 -42.19 85.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.571 -0.706 . . . . 1.0 109.61 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.5 tt0 -64.8 -47.27 78.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.384 -0.823 . . . . 1.0 109.666 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.96 -45.32 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.451 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -57.22 -36.48 70.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.705 -0.622 . . . . 1.0 109.335 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -44.67 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.952 -1.093 . . . . 1.0 109.319 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 70.3 mm-40 -68.18 -51.04 50.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.23 -0.919 . . . . 1.0 109.48 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.541 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.0 t -59.7 -45.29 92.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 1.0 109.803 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 560' ' ' THR . 7.9 tp -65.98 -35.31 80.24 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.061 -1.024 . . . . 1.0 108.809 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.15 89.75 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.462 -0.774 . . . . 1.0 109.098 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.26 -31.35 69.02 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.895 . . . . 1.0 109.176 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 568' ' ' VAL . 9.4 mp -76.06 -37.91 57.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.837 . . . . 1.0 109.663 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -58.5 -36.68 74.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 1.0 109.457 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 567' ' ' GLY . 12.8 pt20 -79.98 -46.46 16.63 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.327 -0.858 . . . . 1.0 108.796 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.829 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.68 -34.01 88.79 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 564' ' ' LEU . 71.8 t -71.78 -48.49 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -1.222 . . . . 1.0 108.963 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.9 t -66.97 -38.81 86.77 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 1.0 108.721 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 99.7 m -61.82 -43.21 99.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.62 -0.675 . . . . 1.0 109.98 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 567' ' ' GLY . 82.8 p -67.63 -31.73 71.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 1.0 110.167 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.1 t -64.22 -37.93 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.941 -1.099 . . . . 1.0 109.368 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -62.89 -40.67 98.25 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.15 -51.36 69.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.62 -0.675 . . . . 1.0 109.409 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 8.1 tp -56.48 -46.16 80.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.59 -0.693 . . . . 1.0 109.302 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 572' ' ' VAL . 11.3 mt -69.35 -34.73 75.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.636 -0.665 . . . . 1.0 109.605 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 573' ' ' ALA . 23.1 t70 -64.71 -36.72 85.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.23 -0.919 . . . . 1.0 108.954 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.74 -36.96 83.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.479 -0.763 . . . . 1.0 109.445 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.83 -38.97 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.137 -0.977 . . . . 1.0 109.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -53.7 -36.76 55.47 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.0 109.595 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 583' ' ' SER . 83.7 p -64.92 -24.79 67.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -1.197 . . . . 1.0 109.515 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . 51.83 -91.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.0 109.53 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 581' ' ' SER . 30.8 t -131.04 143.14 50.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.172 -0.955 . . . . 1.0 109.459 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -129.5 167.07 21.54 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.525 -1.43 . . . . 1.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.03 143.57 95.19 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.778 2.319 . . . . 1.0 112.134 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 162.5 116.14 0.37 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 85.07 -177.11 50.74 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.559 -1.417 . . . . 1.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' TRP . . . . . 0.488 ' O ' ' O ' ' A' ' 591' ' ' THR . 92.3 m95 -109.21 142.03 40.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.314 -1.109 . . . . 1.0 109.623 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -69.4 -35.02 75.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 1.0 109.454 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.7 m -64.26 -47.59 79.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 1.0 109.463 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 588' ' ' TRP . 16.1 p -133.69 162.95 30.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 1.0 109.464 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.6 t 59.76 -148.93 0.45 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.345 -0.847 . . . . 1.0 109.553 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 54.17 69.04 2.34 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.2 -0.937 . . . . 1.0 110.078 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -53.06 158.49 6.67 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.943 1.762 . . . . 1.0 112.036 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 596' ' ' GLU . 91.6 mt-30 -55.5 138.83 45.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.896 . . . . 1.0 109.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 595' ' ' GLN . 12.1 mt-10 56.17 155.74 0.07 OUTLIER Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.194 -0.941 . . . . 1.0 109.564 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.49 165.98 2.92 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.815 2.344 . . . . 1.0 111.648 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.02 128.4 2.09 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.483 2.122 . . . . 1.0 112.049 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.29 -34.53 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 1.0 109.688 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.83 -41.95 78.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 1.0 109.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.271 -0.893 . . . . 1.0 109.293 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 36.6 tp -70.15 -41.86 73.29 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.439 -0.788 . . . . 1.0 109.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.96 -34.64 72.01 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.0 109.696 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.08 73.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.376 -0.828 . . . . 1.0 109.918 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.02 65.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.133 -0.979 . . . . 1.0 110.172 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.624 HG22 ' CD2' ' A' ' 610' ' ' HIS . 12.7 p -70.06 -36.95 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 1.0 109.677 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -66.5 -31.32 71.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.956 . . . . 1.0 109.554 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.36 -52.24 35.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.199 -0.938 . . . . 1.0 110.033 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.614 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.89 -42.74 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.14 -0.975 . . . . 1.0 109.753 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.673 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 5.0 m-70 -64.83 -39.99 94.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.009 -1.057 . . . . 1.0 109.241 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.54 96.47 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.34 71.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.819 -1.401 . . . . 1.0 108.776 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 650' ' ' TYR . 99.1 t -64.52 -47.35 89.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -53.8 -34.93 60.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.42 -0.8 . . . . 1.0 108.898 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.5 -32.63 72.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.884 -1.135 . . . . 1.0 108.307 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -42.86 71.19 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -40.91 95.25 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.125 -0.984 . . . . 1.0 108.987 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.06 -45.33 50.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.447 -0.783 . . . . 1.0 109.865 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.13 -46.68 87.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 1.0 108.857 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.61 85.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.438 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.9 -42.9 89.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.661 -0.65 . . . . 1.0 109.527 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.5 t -58.15 -43.87 87.59 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 1.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.89 73.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 1.0 109.408 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.19 -42.98 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 1.0 109.641 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.8 m -64.29 -29.23 70.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.94 . . . . 1.0 109.673 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 70.3 m -73.46 9.53 1.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 1.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -84.78 58.9 5.22 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.247 -0.908 . . . . 1.0 109.431 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 86.4 m -55.31 -41.56 72.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 1.0 109.562 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.63 116.78 28.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.311 -0.868 . . . . 1.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 121.27 13.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.923 . . . . 1.0 109.456 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 632' ' ' ASP . 24.9 p -83.96 7.27 18.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 1.0 109.374 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 631' ' ' SER . 0.7 OUTLIER 73.58 41.07 0.46 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 1.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 633' ' ' ARG . . . . . 0.445 ' CD ' HD22 ' A' ' 701' ' ' LEU . 69.8 mtp85 -64.86 154.45 37.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 1.0 109.325 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 60.2 m -61.07 -26.2 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 1.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.34 -45.1 88.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.0 109.293 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.19 -44.61 91.47 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.22 -46.95 75.94 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -44.66 79.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.52 -0.737 . . . . 1.0 109.457 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.55 -46.4 89.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.943 . . . . 1.0 109.526 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.8 t -61.52 -37.35 83.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 1.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -59.86 -46.43 89.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.295 -0.878 . . . . 1.0 110.63 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.53 HE22 ' HB2' ' A' ' 694' ' ' PHE . 7.7 pt20 -71.22 -26.45 62.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.925 -1.109 . . . . 1.0 109.889 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -45.41 43.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 1.0 110.08 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -64.63 -41.81 95.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 1.0 109.581 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -65.88 -31.12 71.87 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.185 -1.042 . . . . 1.0 108.185 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.537 ' HG3' HD11 ' A' ' 691' ' ' LEU . 0.0 OUTLIER -68.42 -36.52 79.2 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.713 -0.847 . . . . 1.0 108.713 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.6 -50.84 69.68 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.232 -1.025 . . . . 1.0 108.232 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.01 -44.76 72.12 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.967 -0.458 . . . . 1.0 109.925 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 18.6 t -66.0 -42.65 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.288 -0.882 . . . . 1.0 110.024 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.753 ' O ' HG23 ' A' ' 654' ' ' VAL . 40.8 t80 -61.47 -34.55 75.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.384 -0.823 . . . . 1.0 110.765 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -78.19 -30.93 49.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 1.0 109.865 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.0 m -57.88 -49.04 78.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.0 . . . . 1.0 109.321 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 650' ' ' TYR . 2.0 pp -70.58 -33.91 71.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 1.0 109.334 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 650' ' ' TYR . 84.8 t -59.85 -43.73 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.327 -0.858 . . . . 1.0 109.361 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -66.03 -39.22 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 1.0 108.394 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -64.61 -38.94 92.74 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.816 -1.179 . . . . 1.0 107.816 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.76 -48.53 16.7 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -56.42 -25.68 51.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -1.189 . . . . 1.0 109.536 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 655' ' ' VAL . 49.9 t -63.87 -36.03 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.227 -0.921 . . . . 1.0 109.674 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.7 pp -51.59 -28.87 15.34 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.296 -0.878 . . . . 1.0 109.489 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.6 118.09 21.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 1.0 109.478 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 64.7 p -167.47 -112.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 1.0 109.435 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.34 63.68 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.53 -1.428 . . . . 1.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -55.91 -37.6 69.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -1.149 . . . . 1.0 109.454 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -155.16 -174.76 25.43 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.635 -1.386 . . . . 1.0 109.635 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . -48.11 -53.32 15.25 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.623 -1.391 . . . . 1.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 71.8 Cg_exo -51.66 145.71 29.4 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.955 2.436 . . . . 1.0 112.48 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 173.99 -114.48 0.51 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -137.31 164.07 29.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -1.165 . . . . 1.0 109.52 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.6 p -135.67 -175.8 4.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 1.0 109.69 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.39 -24.2 18.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 1.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -65.93 -46.7 77.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -0.929 . . . . 1.0 109.142 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.38 -37.03 72.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.4 -0.813 . . . . 1.0 109.577 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.9 -37.9 88.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.21 -0.932 . . . . 1.0 109.437 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -59.06 -35.52 73.48 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -71.42 -41.97 68.88 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' ' 677' ' ' LEU . 6.3 tt -70.4 -49.3 50.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 1.0 108.401 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' ' 674' ' ' LEU . 52.9 t -57.54 -31.52 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.058 -1.09 . . . . 1.0 108.058 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.88 -42.86 84.86 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.898 -0.779 . . . . 1.0 108.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.15 -36.43 83.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.264 -0.898 . . . . 1.0 109.359 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 15.6 t -56.71 -35.69 68.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.269 -0.894 . . . . 1.0 110.483 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -78.95 -34.97 43.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.748 -1.22 . . . . 1.0 109.878 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.28 64.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.922 . . . . 1.0 110.936 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 613' ' ' VAL . 2.5 t -57.39 -53.89 60.68 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.004 -1.06 . . . . 1.0 112.249 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 35.0 Cg_endo -65.51 -38.81 23.95 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 121.896 1.731 . . . . 1.0 112.788 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -60.01 -41.98 93.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.004 -1.06 . . . . 1.0 108.183 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -74.73 -32.04 62.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.524 -0.735 . . . . 1.0 109.278 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.46 91.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 1.0 108.493 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -65.99 -37.2 85.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.51 -0.744 . . . . 1.0 109.006 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -59.42 -42.01 90.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.326 -0.858 . . . . 1.0 108.79 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 695' ' ' LEU . 79.7 mt -58.2 -34.61 70.56 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.33 77.3 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.0 m -71.25 -45.69 62.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.318 -0.864 . . . . 1.0 109.302 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.53 ' HB2' HE22 ' A' ' 642' ' ' GLN . 2.9 m-85 -64.82 -36.83 85.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 1.0 108.796 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 691' ' ' LEU . 5.7 mp -60.72 -37.23 81.02 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -64.36 -47.22 80.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.567 -0.708 . . . . 1.0 109.496 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.83 -23.03 60.7 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.947 -1.661 . . . . 1.0 108.947 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.644 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.7 OUTLIER -107.5 -0.97 21.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.402 -1.058 . . . . 1.0 109.638 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -57.91 -26.99 62.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 1.0 109.368 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 700' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 704' ' ' ARG . 27.7 t -64.99 -50.52 65.99 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.2 -0.938 . . . . 1.0 109.571 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.445 HD22 ' CD ' ' A' ' 633' ' ' ARG . 1.0 OUTLIER -103.91 -10.94 17.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.157 -0.965 . . . . 1.0 111.012 -178.059 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 698' ' ' ASN . 58.3 tp -67.23 -29.94 69.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.634 -1.292 . . . . 1.0 108.511 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 557' ' ' ALA . 62.4 m-85 -118.06 -84.13 0.65 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -0.84 . . . . 1.0 109.531 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 700' ' ' SER . 76.6 mtp180 -148.64 -106.94 0.08 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.359 -0.838 . . . . 1.0 110.075 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 705' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 706' ' ' THR . 68.9 ttt180 -167.34 66.85 0.09 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.459 -0.776 . . . . 1.0 109.453 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 706' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 705' ' ' ARG . 8.9 p 46.35 -170.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.351 -0.843 . . . . 1.0 109.499 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -59.62 -35.78 75.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.931 . . . . 1.0 109.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.085 -0.959 . . . . 1.0 109.455 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.902 0 N-CA-C 119.412 2.525 . . . . 1.0 119.412 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 42.6 m -60.57 154.61 20.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 1.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -81.2 -179.75 53.18 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -157.77 -62.7 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -1.156 . . . . 1.0 109.508 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -132.0 78.83 68.62 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 1.0 109.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -86.54 146.89 8.45 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.9 2.4 . . . . 1.0 112.471 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 0.8 OUTLIER -67.66 -26.82 66.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.28 -0.888 . . . . 1.0 109.366 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 14.4 tp10 87.83 112.71 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.202 -0.936 . . . . 1.0 109.235 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -63.89 -34.31 77.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 1.0 109.721 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.1 mt-10 -65.1 -46.42 81.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 1.0 110.034 -178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.543 ' O ' ' OG1' ' A' ' 560' ' ' THR . 49.8 t -66.84 -47.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.782 -1.199 . . . . 1.0 107.847 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.62 -35.3 68.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.633 -0.667 . . . . 1.0 109.777 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.9 -43.85 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.786 -1.196 . . . . 1.0 109.389 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.4 OUTLIER -73.7 -44.73 55.69 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.243 -0.911 . . . . 1.0 109.916 -179.376 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.73 -47.12 86.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.978 -1.076 . . . . 1.0 110.42 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -71.19 -35.46 71.57 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.792 -1.193 . . . . 1.0 109.381 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.404 ' HA ' HE21 ' A' ' 565' ' ' GLN . . . -64.3 -38.08 89.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 1.0 109.69 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -66.58 -34.18 77.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.074 -1.016 . . . . 1.0 108.906 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.2 mp -67.99 -42.24 81.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 1.0 108.863 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' A' ' 562' ' ' ALA . 43.8 mt-30 -60.18 -35.37 75.21 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.329 -0.857 . . . . 1.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -78.95 -46.39 18.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.653 -1.279 . . . . 1.0 108.31 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.787 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.39 -33.33 84.21 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.737 -1.745 . . . . 1.0 108.737 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 564' ' ' LEU . 68.1 t -70.06 -49.33 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.149 . . . . 1.0 108.819 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 39.6 m -66.57 -39.8 88.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.903 . . . . 1.0 108.835 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.3 m -62.95 -43.28 99.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.483 -0.761 . . . . 1.0 110.113 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 567' ' ' GLY . 73.0 p -67.35 -33.23 74.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 1.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 568' ' ' VAL . 57.0 t -63.59 -39.18 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.261 -0.899 . . . . 1.0 108.989 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.34 83.67 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 1.0 109.467 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -57.92 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.0 109.456 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.24 -46.07 79.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 1.0 109.452 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 576' ' ' LEU . 4.4 mm? -68.74 -35.39 77.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 1.0 108.838 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.08 -38.0 66.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 1.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.46 -44.17 36.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 1.0 109.429 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.89 -26.27 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.89 . . . . 1.0 109.586 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.42 -40.97 47.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.399 . . . . 1.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 33.6 m -61.64 -34.02 74.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -1.191 . . . . 1.0 109.575 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -61.22 149.81 36.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 1.0 109.453 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 582' ' ' ALA . 9.1 m 55.94 167.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.331 -0.856 . . . . 1.0 109.49 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 164.54 169.72 28.51 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.46 134.88 43.46 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.77 2.313 . . . . 1.0 112.189 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.09 48.51 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 66.7 -123.2 21.89 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 1.6 t90 49.0 -164.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -1.137 . . . . 1.0 109.484 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 46.49 69.06 0.52 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 1.0 109.454 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 29.1 t -144.79 143.09 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 1.0 109.523 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 43.6 p -99.08 -117.27 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 1.0 109.453 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 m 54.35 -177.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.281 -0.887 . . . . 1.0 109.496 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 158.04 45.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 1.0 109.535 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.87 -48.97 4.53 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.783 2.322 . . . . 1.0 112.164 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -129.58 143.99 51.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.905 . . . . 1.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.7 OUTLIER -93.35 -42.88 0.33 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 1.0 110.209 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 16.4 Cg_exo -65.57 161.8 36.95 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.502 2.135 . . . . 1.0 111.927 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.23 135.0 21.96 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.563 2.175 . . . . 1.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.95 -32.06 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.89 . . . . 1.0 109.448 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -56.39 -37.16 69.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 1.0 109.381 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.301 -0.874 . . . . 1.0 109.043 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.1 tt -72.22 -43.17 64.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.501 -0.75 . . . . 1.0 109.053 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.0 -35.49 76.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 1.0 109.504 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.89 76.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.9 . . . . 1.0 110.04 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.31 80.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 1.0 109.956 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.16 -37.61 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 1.0 109.491 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.99 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 1.0 109.371 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.8 92.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.912 . . . . 1.0 109.646 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 613' ' ' VAL . 70.5 t -62.92 -43.19 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.113 -0.992 . . . . 1.0 109.325 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.588 ' ND1' ' CE1' ' A' ' 650' ' ' TYR . 18.3 m-70 -70.13 -31.17 68.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.112 -0.992 . . . . 1.0 109.567 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.83 -42.08 99.42 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.8 71.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.113 -1.228 . . . . 1.0 109.538 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.604 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.2 t -67.39 -46.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.081 -1.012 . . . . 1.0 108.978 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -54.6 -34.6 62.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.276 -0.89 . . . . 1.0 108.813 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.07 -34.7 78.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.163 -0.96 . . . . 1.0 108.722 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 616' ' ' LEU . 2.8 tt -68.72 -42.35 77.77 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -42.22 95.89 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.589 -0.893 . . . . 1.0 108.589 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.01 -45.16 59.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 1.0 110.522 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.95 -47.53 80.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.952 -1.092 . . . . 1.0 109.384 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.77 92.31 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.328 -0.858 . . . . 1.0 109.218 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.43 -39.39 92.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.099 -1.001 . . . . 1.0 109.703 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 50.0 m -57.18 -39.16 74.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.693 -1.255 . . . . 1.0 108.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -62.57 -37.52 86.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.0 109.326 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.2 -42.91 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 1.0 109.527 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 30.5 m -57.96 -37.38 74.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 1.0 109.559 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 12.5 p -78.17 -4.04 45.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 1.0 109.551 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -73.33 162.57 29.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.939 . . . . 1.0 109.417 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 5.9 t -132.13 159.38 39.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 1.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.475 ' C ' ' H ' ' A' ' 631' ' ' SER . 40.1 p-80 -92.82 -157.56 0.54 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.0 109.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 629' ' ' HIS . 0.2 OUTLIER 71.25 -39.38 0.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 1.0 109.466 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 629' ' ' HIS . 16.6 m -59.54 -35.96 75.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.962 . . . . 1.0 109.439 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 52.6 t0 49.66 62.59 2.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 1.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -104.46 134.86 46.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.3 -0.875 . . . . 1.0 109.451 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 55.2 m -61.12 -34.93 75.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.0 109.519 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 697' ' ' GLY . 10.1 mt -57.14 -44.03 83.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -62.93 -44.26 96.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 1.0 108.573 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.58 -48.22 79.97 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.867 -0.79 . . . . 1.0 108.867 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.74 88.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.418 -0.801 . . . . 1.0 109.672 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 64.6 tp -58.11 -46.97 84.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.286 -0.884 . . . . 1.0 110.194 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.0 99.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.077 -1.015 . . . . 1.0 110.3 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -60.76 -46.06 91.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.09 -1.006 . . . . 1.0 110.604 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -72.75 -33.82 66.61 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.926 -1.109 . . . . 1.0 110.005 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.45 -47.07 65.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.206 -0.934 . . . . 1.0 110.101 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.96 -37.26 87.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 1.0 109.547 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -64.5 -34.19 77.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.545 -1.28 . . . . 1.0 107.545 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -38.94 83.03 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.65 -51.09 68.64 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 652' ' ' THR . 24.1 t0 -67.55 -43.59 80.32 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.596 -0.69 . . . . 1.0 109.52 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 -40.42 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.339 -0.85 . . . . 1.0 110.135 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.604 ' CE1' HG11 ' A' ' 613' ' ' VAL . 45.6 t80 -66.52 -35.88 81.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.859 -1.151 . . . . 1.0 109.619 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -72.28 -33.03 67.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.07 -1.019 . . . . 1.0 109.46 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 648' ' ' ASP . 76.3 p -61.98 -41.27 97.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 1.0 109.121 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 680' ' ' CYS . 85.5 mt -68.71 -34.43 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.391 -0.818 . . . . 1.0 109.816 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.01 -42.88 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.03 -1.044 . . . . 1.0 109.427 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.4 t -66.83 -44.35 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -61.47 -39.62 91.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.341 -1.355 . . . . 1.0 107.341 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.419 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -71.68 -43.96 50.22 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.464 -1.454 . . . . 1.0 109.464 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.86 -30.72 61.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.059 -1.26 . . . . 1.0 109.72 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 655' ' ' VAL . 70.2 t -63.58 -32.38 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 1.0 110.29 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.507 ' O ' ' CE1' ' A' ' 669' ' ' PHE . 4.0 tt -53.55 -30.41 41.78 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.018 -1.051 . . . . 1.0 109.648 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.9 121.68 18.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 1.0 109.546 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 58.6 p -74.45 164.75 26.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 1.0 109.486 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -144.44 -172.32 14.97 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.494 -1.443 . . . . 1.0 109.494 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 665' ' ' GLY . 9.9 ptp180 -51.55 -39.22 57.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -1.166 . . . . 1.0 109.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 664' ' ' ARG . . . -58.45 -21.1 47.81 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 103.77 168.99 25.37 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.419 -1.472 . . . . 1.0 109.419 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.63 137.28 80.28 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.092 2.528 . . . . 1.0 112.149 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -127.39 16.68 6.27 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.536 -1.426 . . . . 1.0 109.536 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 29.9 p90 -137.55 160.18 39.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -1.184 . . . . 1.0 109.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p -142.07 -169.74 3.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.322 -0.861 . . . . 1.0 109.251 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.05 -25.63 22.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.0 109.202 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -64.51 -47.18 79.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.227 -0.921 . . . . 1.0 109.522 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -57.75 -32.87 67.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 1.0 110.048 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 674' ' ' LEU . 4.4 mm? -63.6 -39.1 93.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.015 . . . . 1.0 109.648 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.67 -35.2 75.64 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.102 -1.444 . . . . 1.0 107.102 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -70.96 -42.66 69.47 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.13 -0.692 . . . . 1.0 109.13 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.419 HD21 ' HA2' ' A' ' 657' ' ' GLY . 16.8 mt -70.18 -47.35 61.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 1.0 108.777 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.58 -32.02 35.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.03 -43.69 67.37 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.605 -0.684 . . . . 1.0 109.22 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.497 ' SG ' HD22 ' A' ' 653' ' ' LEU . 79.9 m -67.09 -39.08 86.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.183 -0.948 . . . . 1.0 109.686 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 27.0 t -57.36 -35.15 69.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.236 -0.915 . . . . 1.0 110.53 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.73 -30.8 56.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.855 -1.153 . . . . 1.0 110.087 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.16 -46.12 62.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.158 -0.964 . . . . 1.0 111.812 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -58.12 -51.42 81.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.934 -1.104 . . . . 1.0 112.493 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.9 Cg_endo -64.3 -41.72 20.21 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 121.972 1.781 . . . . 1.0 112.634 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.61 -40.52 97.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.018 -1.051 . . . . 1.0 108.223 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -75.56 -32.68 60.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.52 -0.738 . . . . 1.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.42 86.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.234 -0.916 . . . . 1.0 109.167 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 0.2 OUTLIER -68.03 -38.2 82.26 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.37 -0.831 . . . . 1.0 109.506 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.34 -43.71 98.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.329 -0.857 . . . . 1.0 108.964 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.71 -33.6 71.82 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -59.82 -35.65 75.17 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' SER . . . . . 0.58 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 29.4 t -69.8 -41.85 74.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.86 . . . . 1.0 109.299 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.509 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -70.7 -29.44 65.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.92 . . . . 1.0 108.546 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 692' ' ' ALA . 13.8 mt -68.07 -38.01 81.9 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.609 ' CD2' ' N ' ' A' ' 697' ' ' GLY . 1.3 p-80 -73.05 -40.15 65.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.484 -0.76 . . . . 1.0 109.564 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 697' ' ' GLY . . . . . 0.609 ' N ' ' CD2' ' A' ' 696' ' ' HIS . . . -55.59 -27.97 50.17 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.374 -1.49 . . . . 1.0 109.374 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.5 OUTLIER -118.59 7.63 11.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.356 -1.085 . . . . 1.0 109.549 -179.182 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -50.35 -40.45 49.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.177 -0.952 . . . . 1.0 109.273 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.4 t -50.89 -35.4 32.73 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.922 . . . . 1.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.36 -43.42 11.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.965 . . . . 1.0 110.611 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.611 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 51.4 mt -53.5 -32.5 50.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.178 . . . . 1.0 108.749 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 8.6 m-85 -121.66 -68.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 1.0 109.235 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 33.0 ttt85 72.4 99.18 0.07 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.43 -0.794 . . . . 1.0 109.667 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.26 147.39 53.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.837 . . . . 1.0 109.52 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 39.1 m -79.43 135.64 36.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 1.0 109.447 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -116.89 148.16 41.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 1.0 109.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.98 -1.009 . . . . 1.0 109.444 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.84 0 N-CA-C 119.43 2.532 . . . . 1.0 119.43 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 49.7 m -123.11 149.79 44.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -1.155 . . . . 1.0 109.456 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -81.38 -174.32 48.98 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -106.35 163.87 12.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -1.2 . . . . 1.0 109.557 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.54 ' H ' ' HD2' ' A' ' 551' ' ' PRO . 3.4 mt-10 -152.83 -62.19 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.372 -0.83 . . . . 1.0 109.498 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' PRO . . . . . 0.54 ' HD2' ' H ' ' A' ' 550' ' ' GLU . 77.8 Cg_exo -30.78 152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.98 2.453 . . . . 1.0 112.373 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 3.5 mm? -53.92 -33.06 55.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 1.0 109.347 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.678 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 39.8 tt0 91.97 90.68 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.131 -1.063 . . . . 1.0 108.131 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.21 -37.96 89.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.492 -0.755 . . . . 1.0 111.001 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.52 -42.89 91.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.926 -1.109 . . . . 1.0 110.535 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.51 ' O ' ' OG1' ' A' ' 560' ' ' THR . 15.8 t -75.43 -43.23 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.629 -1.294 . . . . 1.0 108.089 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 561' ' ' LEU . . . -59.77 -43.12 94.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 1.0 109.498 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -32.13 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.67 -1.269 . . . . 1.0 108.798 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.29 -49.6 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.423 -0.798 . . . . 1.0 109.697 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -68.61 -34.83 76.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.902 . . . . 1.0 109.84 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 557' ' ' ALA . 3.7 mt -61.53 -44.97 96.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.9 -1.125 . . . . 1.0 109.036 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.4 81.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 1.0 109.871 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.529 ' HD3' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -61.23 -32.34 72.13 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.115 -0.991 . . . . 1.0 108.739 178.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -70.3 -37.62 74.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.607 -0.683 . . . . 1.0 109.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -61.28 -30.09 70.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 1.0 109.496 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -77.76 -47.69 18.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 1.0 108.562 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.14 -33.39 87.12 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 564' ' ' LEU . 87.1 t -71.98 -49.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.992 -1.299 . . . . 1.0 109.049 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 t -66.88 -39.79 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 1.0 108.725 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.9 m -62.62 -42.73 99.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.545 -0.722 . . . . 1.0 110.12 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 53.2 p -67.39 -32.82 73.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 1.0 109.864 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.556 HG13 ' OG ' ' A' ' 681' ' ' SER . 58.6 t -66.57 -39.07 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 1.0 109.495 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.3 84.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.148 -0.97 . . . . 1.0 108.721 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' HIS . . . . . 0.836 ' NE2' HD11 ' A' ' 578' ' ' LEU . 29.2 t60 -59.65 -50.22 74.71 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.587 -0.696 . . . . 1.0 109.484 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.18 -45.42 72.12 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.229 -0.919 . . . . 1.0 109.003 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.77 -35.2 69.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -58.35 -37.98 76.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.916 . . . . 1.0 109.223 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.836 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.99 -42.95 84.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.311 -0.868 . . . . 1.0 109.468 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.82 -39.9 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.0 109.498 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 53.31 32.12 43.76 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.606 -1.397 . . . . 1.0 109.606 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.9 t 59.18 32.39 22.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -1.164 . . . . 1.0 109.55 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -53.39 139.84 29.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 1.0 109.452 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 76.6 p -151.93 164.05 37.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.287 -0.883 . . . . 1.0 109.473 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -97.3 -172.75 33.91 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.496 -1.441 . . . . 1.0 109.496 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.24 -17.09 7.92 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.781 2.321 . . . . 1.0 112.214 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 99.25 -30.91 8.95 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -91.83 -174.23 42.66 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.516 -1.434 . . . . 1.0 109.516 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' A' ' 589' ' ' ARG . 1.7 m-90 -89.23 -72.79 0.53 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.297 -1.119 . . . . 1.0 109.642 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 588' ' ' TRP . 94.1 mtt-85 42.54 -160.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.328 -0.858 . . . . 1.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 86.4 p -99.18 155.42 17.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 1.0 109.4 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 5.0 m -76.03 130.34 38.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 1.0 109.524 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.9 m -62.25 -34.54 76.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 1.0 109.486 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.3 163.47 49.83 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 1.0 109.528 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.2 145.49 60.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.789 2.326 . . . . 1.0 112.246 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -78.14 62.44 2.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.707 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -138.44 69.74 46.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.0 110.078 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -83.42 163.94 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.689 2.26 . . . . 1.0 112.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -45.07 105.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.677 2.251 . . . . 1.0 112.125 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.27 -34.37 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 1.0 109.668 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLN . . . . . 0.506 ' CD ' ' H ' ' A' ' 600' ' ' GLN . 2.4 mp0 -57.79 -42.28 83.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 1.0 109.274 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.427 -0.795 . . . . 1.0 109.201 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 606' ' ' VAL . 0.1 OUTLIER -77.1 -43.14 35.3 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.304 -0.872 . . . . 1.0 109.004 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -65.27 -38.27 89.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.847 . . . . 1.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.73 72.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 1.0 109.958 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.19 -47.21 62.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 1.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 602' ' ' LEU . 14.8 p -69.56 -37.57 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 1.0 109.712 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -64.93 -45.9 83.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.966 . . . . 1.0 109.42 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.84 87.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.214 -0.929 . . . . 1.0 109.902 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -44.33 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.021 -1.05 . . . . 1.0 109.529 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.585 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.9 m-70 -68.24 -29.33 68.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.087 -1.008 . . . . 1.0 108.899 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.81 98.56 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.9 76.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.262 . . . . 1.0 109.443 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CE1' ' A' ' 650' ' ' TYR . 86.8 t -66.89 -45.32 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.212 -0.93 . . . . 1.0 109.397 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -56.23 -33.75 65.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.442 -0.786 . . . . 1.0 110.606 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.17 -34.08 77.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.706 -1.246 . . . . 1.0 108.729 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.74 -38.99 87.76 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.438 -1.319 . . . . 1.0 107.438 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -40.44 96.27 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -72.51 -45.5 59.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.0 109.189 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.434 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -64.98 -47.25 78.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 1.0 108.748 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.71 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.848 -1.167 . . . . 1.0 107.848 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -59.98 -41.23 91.55 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 38.2 p -58.26 -37.18 74.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.238 -0.914 . . . . 1.0 108.645 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.68 94.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.451 -0.781 . . . . 1.0 109.065 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' A' ' 627' ' ' ALA . 72.8 t -64.28 -35.48 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 1.0 109.606 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.6 t -51.89 148.77 5.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.3 -0.875 . . . . 1.0 110.008 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 34.5 t 47.64 31.74 2.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.993 -1.067 . . . . 1.0 109.749 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 624' ' ' VAL . . . -58.73 149.03 27.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.144 -0.972 . . . . 1.0 109.5 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 73.5 m -122.45 143.5 49.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.223 -0.923 . . . . 1.0 109.677 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -97.91 147.69 24.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.418 ' OG1' ' OD1' ' A' ' 632' ' ' ASP . 40.3 p -130.5 -171.06 2.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 1.0 109.545 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 84.8 p -52.47 -32.93 42.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 1.0 109.463 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 632' ' ' ASP . 47.1 p30 -99.86 164.73 11.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.273 -0.892 . . . . 1.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -154.47 -12.47 0.13 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 1.0 109.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 81.8 m -60.86 -39.28 88.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 1.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 635' ' ' LEU . 4.1 mm? -59.28 -45.97 89.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 1.0 109.558 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 636' ' ' HIS . . . . . 0.452 ' HE1' ' HB1' ' A' ' 627' ' ' ALA . 0.1 OUTLIER -63.05 -42.59 99.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.064 -1.022 . . . . 1.0 108.266 178.526 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.2 78.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.732 -0.84 . . . . 1.0 108.732 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -42.95 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.748 . . . . 1.0 109.177 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.637 ' CD1' HD11 ' A' ' 702' ' ' LEU . 6.4 tt -59.13 -47.42 85.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.392 -0.818 . . . . 1.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.0 t -58.63 -42.74 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 1.0 109.955 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -61.61 -44.82 96.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.138 -0.976 . . . . 1.0 110.24 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.55 ' NE2' ' CG ' ' A' ' 694' ' ' PHE . 7.3 tt0 -74.35 -36.43 63.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.965 -1.084 . . . . 1.0 110.107 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -68.8 -49.85 55.11 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.225 -0.922 . . . . 1.0 110.247 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.52 -36.59 84.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.041 -1.037 . . . . 1.0 108.92 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.53 -34.65 78.74 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.459 -1.312 . . . . 1.0 107.459 178.493 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -37.92 80.14 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.197 -1.038 . . . . 1.0 108.197 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -63.59 -52.38 61.22 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.952 -0.758 . . . . 1.0 108.952 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.51 -42.81 82.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.614 -0.679 . . . . 1.0 109.323 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 645' ' ' LYS . 52.1 t -65.06 -40.25 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.838 . . . . 1.0 110.025 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.674 ' CE1' HG11 ' A' ' 613' ' ' VAL . 42.4 t80 -68.53 -35.65 77.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.032 -1.043 . . . . 1.0 109.392 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.64 -36.08 67.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.217 -0.927 . . . . 1.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.7 m -60.82 -43.0 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.204 -0.935 . . . . 1.0 109.251 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.487 HD22 ' SG ' ' A' ' 680' ' ' CYS . 87.4 mt -71.25 -35.23 71.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.406 -0.809 . . . . 1.0 109.856 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 650' ' ' TYR . 79.7 t -60.2 -44.03 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.063 . . . . 1.0 109.499 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.6 t -65.83 -41.53 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 1.0 108.361 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.51 -37.32 87.14 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -74.16 -46.74 20.45 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.94 -28.6 62.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -1.221 . . . . 1.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.5 t -63.24 -35.05 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.249 -0.907 . . . . 1.0 109.767 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 662' ' ' SER . 2.9 tt -53.93 -35.61 61.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.995 . . . . 1.0 109.483 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -73.91 24.73 0.08 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.0 109.49 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 660' ' ' LEU . 99.2 p -56.89 -28.5 61.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.204 -0.935 . . . . 1.0 109.59 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.07 -121.53 23.32 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -110.89 137.65 48.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.284 -1.127 . . . . 1.0 109.407 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 158.42 -178.9 34.46 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.529 -1.428 . . . . 1.0 109.529 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -49.53 -72.41 0.48 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.45 150.58 86.91 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.977 2.451 . . . . 1.0 112.09 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -161.29 -175.76 32.66 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.706 -1.357 . . . . 1.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -140.55 167.22 22.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -1.107 . . . . 1.0 109.436 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 672' ' ' ASP . 8.8 t -144.53 -171.62 3.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.086 -1.009 . . . . 1.0 110.1 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.22 -26.17 27.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.383 -0.823 . . . . 1.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' ASP . . . . . 0.786 ' H ' HG23 ' A' ' 670' ' ' THR . 89.4 m-20 -65.75 -46.83 77.37 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.237 -0.914 . . . . 1.0 109.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.67 -31.19 66.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.445 -0.784 . . . . 1.0 109.583 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.26 -36.26 81.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.205 -0.934 . . . . 1.0 109.141 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.97 -35.79 77.72 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.006 -1.479 . . . . 1.0 107.006 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -71.3 -41.17 70.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 109.333 -0.618 . . . . 1.0 109.333 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.46 HD21 ' HA2' ' A' ' 657' ' ' GLY . 14.1 mt -71.09 -47.24 59.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.976 -1.078 . . . . 1.0 108.499 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.88 -32.63 43.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 107.844 -1.169 . . . . 1.0 107.844 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.06 67.49 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 108.399 -0.964 . . . . 1.0 108.399 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 653' ' ' LEU . 84.7 m -66.45 -37.45 85.18 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.6 t -56.48 -34.55 67.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 1.0 110.112 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -77.04 -30.76 55.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.816 -1.178 . . . . 1.0 109.202 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.85 -44.68 54.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.335 -0.853 . . . . 1.0 112.272 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.577 HG11 HG21 ' A' ' 613' ' ' VAL . 2.0 t -60.09 -50.2 87.38 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 120.557 -1.34 . . . . 1.0 112.333 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.7 Cg_endo -67.25 -39.54 12.93 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.99 1.794 . . . . 1.0 112.343 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.69 -40.19 91.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.718 -1.216 . . . . 1.0 107.718 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.84 -34.29 64.48 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.82 93.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.94 . . . . 1.0 109.061 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -39.15 91.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.463 -0.773 . . . . 1.0 109.103 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.03 -43.39 87.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 1.0 109.063 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 48.3 tp -58.66 -33.76 70.47 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.25 -0.906 . . . . 1.0 108.675 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.13 -34.54 78.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.876 . . . . 1.0 109.154 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.2 m -68.44 -41.7 79.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.55 ' CG ' ' NE2' ' A' ' 642' ' ' GLN . 3.7 m-85 -68.41 -33.15 73.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 1.0 108.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -61.55 -37.11 82.58 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.416 -0.802 . . . . 1.0 109.256 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -68.3 -44.22 75.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.376 -0.827 . . . . 1.0 109.912 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.68 -24.82 57.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.432 -1.467 . . . . 1.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.653 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.6 OUTLIER -111.62 2.51 17.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -1.135 . . . . 1.0 109.837 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -49.15 -25.13 1.98 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.094 -1.003 . . . . 1.0 109.317 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.6 p -76.92 -31.99 57.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.187 -0.946 . . . . 1.0 109.737 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.8 mp -93.03 -45.64 7.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.147 -0.971 . . . . 1.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.637 HD11 ' CD1' ' A' ' 639' ' ' LEU . 15.0 mt -55.78 -29.08 59.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.731 -1.231 . . . . 1.0 108.24 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 703' ' ' PHE . 40.7 m-85 -121.51 -112.12 0.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.453 -0.779 . . . . 1.0 109.028 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -173.12 -96.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.834 . . . . 1.0 110.05 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -142.05 151.48 42.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.365 -0.835 . . . . 1.0 109.464 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 52.1 m -52.37 -41.16 62.85 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 1.0 109.478 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt 54.56 54.8 8.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.167 -0.958 . . . . 1.0 109.423 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.02 -0.99 . . . . 1.0 109.463 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.908 0 N-CA-C 119.428 2.531 . . . . 1.0 119.428 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 82.4 p -62.73 -30.03 71.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -1.126 . . . . 1.0 109.477 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 153.62 -173.61 32.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.527 -1.429 . . . . 1.0 109.527 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 46.03 -158.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.232 -1.157 . . . . 1.0 109.489 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -136.56 89.72 18.1 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -79.91 144.32 16.99 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.902 2.401 . . . . 1.0 111.93 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 552' ' ' LEU . 3.7 mm? -85.11 -175.57 5.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.866 . . . . 1.0 108.876 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.72 166.86 10.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.214 -0.929 . . . . 1.0 109.53 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.29 -39.76 84.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.773 . . . . 1.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 1.0 109.753 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.3 -39.38 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.36 91.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -36.47 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.174 -0.954 . . . . 1.0 109.057 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.05 -49.07 66.37 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.424 ' O ' HD13 ' A' ' 564' ' ' LEU . 53.4 m -58.92 -47.75 83.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.327 -0.858 . . . . 1.0 109.754 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 692' ' ' ALA . 28.5 tp -54.72 -45.64 74.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.169 -0.957 . . . . 1.0 110.055 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -43.56 73.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.134 -0.978 . . . . 1.0 109.766 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.406 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 20.2 mtp-105 -70.73 -32.28 69.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 1.0 110.181 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -68.14 -43.25 78.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 1.0 110.026 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.4 -32.21 73.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 1.0 109.081 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -77.43 -50.65 12.25 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.786 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.41 -33.1 86.32 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 108.786 -1.725 . . . . 1.0 108.786 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 564' ' ' LEU . 72.1 t -73.17 -49.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -1.058 . . . . 1.0 108.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.38 -39.47 89.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.841 . . . . 1.0 108.913 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.9 m -62.62 -43.07 99.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.517 -0.74 . . . . 1.0 110.379 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.7 p -67.77 -31.72 71.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.033 . . . . 1.0 110.366 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 568' ' ' VAL . 59.6 t -64.96 -39.6 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.909 -1.119 . . . . 1.0 109.519 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -61.07 -39.25 89.16 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.149 -0.969 . . . . 1.0 108.495 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -57.73 -51.13 70.82 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.561 -0.712 . . . . 1.0 109.432 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.3 tp -56.67 -46.26 81.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 1.0 109.517 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.433 HD13 HG12 ' A' ' 572' ' ' VAL . 5.2 mp -70.1 -32.81 71.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.365 -0.834 . . . . 1.0 109.193 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 573' ' ' ALA . 21.4 t70 -63.79 -35.53 80.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.253 -0.904 . . . . 1.0 109.133 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.3 tt -68.44 -37.48 80.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 1.0 109.5 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.85 -35.93 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 1.0 109.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.72 -34.67 36.93 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.569 -1.413 . . . . 1.0 109.569 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.1 p -61.87 -29.75 70.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -1.167 . . . . 1.0 109.477 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -80.82 -157.11 0.15 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 1.0 109.484 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.98 167.35 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -0.863 . . . . 1.0 109.376 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -145.89 -167.12 12.37 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.567 -1.413 . . . . 1.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -52.44 -21.74 14.61 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.355 . . . . 1.0 112.165 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 92.56 14.1 55.97 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 1.0 109.603 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -80.79 -177.03 51.14 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.535 -1.426 . . . . 1.0 109.535 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -96.11 143.29 27.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.251 -1.147 . . . . 1.0 109.52 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 591' ' ' THR . 89.3 mtt-85 -128.67 163.67 24.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 1.0 109.448 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 89.4 p -63.25 71.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 1.0 109.438 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 589' ' ' ARG . 2.3 m 46.13 38.85 5.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.885 . . . . 1.0 109.462 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.5 p -71.1 157.22 38.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.93 . . . . 1.0 109.479 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -161.31 72.38 2.59 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.173 -0.954 . . . . 1.0 109.513 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' PRO . . . . . 0.489 ' O ' HD11 ' A' ' 671' ' ' LEU . 48.3 Cg_exo -52.57 142.78 48.28 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.867 2.378 . . . . 1.0 112.19 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.66 -145.41 0.32 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 1.0 109.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.83 77.93 71.25 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 1.0 110.146 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.488 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 36.1 Cg_exo -53.67 -42.95 62.04 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.856 2.37 . . . . 1.0 112.145 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 92.2 Cg_endo -86.8 62.35 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.523 2.149 . . . . 1.0 112.1 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.88 -34.25 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 1.0 109.551 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -56.6 -45.26 81.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 1.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -58.17 -34.51 70.41 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.418 -0.801 . . . . 1.0 109.285 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -69.66 -40.32 76.53 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.356 -0.84 . . . . 1.0 109.066 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -64.75 -36.1 83.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 1.0 109.558 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -36.83 75.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 1.0 109.798 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.83 -47.77 57.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.0 109.992 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 5.4 p -70.15 -36.58 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.04 -1.038 . . . . 1.0 109.493 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.4 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -60.36 -36.6 78.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 1.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.79 60.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.261 -0.9 . . . . 1.0 109.42 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.463 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -64.87 -42.73 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 1.0 108.992 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' A' ' 650' ' ' TYR . 4.7 t-80 -60.62 -44.03 96.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.972 . . . . 1.0 109.503 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.89 -39.48 96.97 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.677 -1.369 . . . . 1.0 109.677 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.74 74.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.071 -1.252 . . . . 1.0 110.121 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.641 HG11 ' CE1' ' A' ' 650' ' ' TYR . 71.0 t -70.97 -44.87 75.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 120.913 -1.117 . . . . 1.0 108.328 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -56.75 -38.43 72.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 1.0 110.363 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -68.92 -28.11 66.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.595 -1.316 . . . . 1.0 108.273 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 617' ' ' LEU . 3.9 tt -72.61 -34.93 67.71 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.856 -0.794 . . . . 1.0 108.856 178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 616' ' ' LEU . 4.9 mp -76.23 -39.82 53.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.0 110.06 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.33 -47.79 46.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.155 -0.966 . . . . 1.0 111.494 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.752 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -67.62 -39.79 84.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.717 -1.239 . . . . 1.0 108.893 -179.145 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.752 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.74 -39.06 92.99 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -61.15 -37.6 83.44 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.429 0.633 . . . . 1.0 109.39 178.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 30.8 t -60.27 -37.74 81.37 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.481 -0.762 . . . . 1.0 110.094 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.18 86.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 1.0 110.109 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.77 -39.92 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.224 -0.923 . . . . 1.0 109.936 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 25.8 m -57.25 -36.9 71.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.048 -1.032 . . . . 1.0 109.635 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 79.7 p -75.53 -5.88 47.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.329 -0.857 . . . . 1.0 110.031 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.23 148.41 2.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.148 -0.97 . . . . 1.0 109.512 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 5.2 t -85.18 177.89 7.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 1.0 109.35 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.493 ' C ' ' H ' ' A' ' 631' ' ' SER . 95.5 m-70 -124.44 177.7 5.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.0 109.55 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.68 -1.95 0.41 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 1.0 109.464 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.493 ' H ' ' C ' ' A' ' 629' ' ' HIS . 18.9 p -117.87 56.01 0.86 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.261 -0.899 . . . . 1.0 109.418 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.78 132.52 49.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 1.0 109.492 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -141.41 158.94 43.21 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.275 -0.89 . . . . 1.0 109.384 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 40.0 p -62.87 -30.69 71.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 1.0 109.64 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 698' ' ' ASN . 0.2 OUTLIER -58.6 -47.28 84.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 1.0 109.464 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -44.9 95.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 1.0 108.36 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.34 76.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.42 94.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.0 109.332 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.609 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.4 tt -59.51 -47.56 85.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0 109.983 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' SER . . . . . 0.435 ' O ' ' OE1' ' A' ' 644' ' ' GLN . 23.1 t -60.33 -39.1 85.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.244 -0.91 . . . . 1.0 110.396 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -62.23 -45.54 92.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.0 110.115 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -74.8 -33.97 62.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.216 -0.928 . . . . 1.0 109.813 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.46 -50.2 64.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 1.0 109.403 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 644' ' ' GLN . 1.1 mp0 -63.17 -37.63 87.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.439 -0.788 . . . . 1.0 110.106 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 649' ' ' VAL . 17.3 ttpp -64.01 -33.16 75.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.798 -1.189 . . . . 1.0 108.222 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -38.34 79.99 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.486 -0.931 . . . . 1.0 108.486 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 617' ' ' LEU . 56.6 mm-40 -63.33 -50.71 68.94 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -65.14 -42.81 93.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 645' ' ' LYS . 40.7 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.641 ' CE1' HG11 ' A' ' 613' ' ' VAL . 10.9 t80 -64.15 -35.79 81.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 1.0 110.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -31.16 72.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.972 . . . . 1.0 109.823 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' THR . . . . . 0.42 HG22 ' ND1' ' A' ' 656' ' ' HIS . 19.4 m -64.59 -38.56 91.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.052 -1.03 . . . . 1.0 109.46 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 680' ' ' CYS . 15.4 mt -62.73 -39.24 93.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 1.0 109.636 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.22 -44.78 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.171 -0.956 . . . . 1.0 110.028 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.57 -46.84 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.901 -1.124 . . . . 1.0 108.285 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' HIS . . . . . 0.42 ' ND1' HG22 ' A' ' 652' ' ' THR . 13.0 m170 -59.47 -39.0 82.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.7 -44.79 24.6 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.1 -36.46 68.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.431 -1.629 . . . . 1.0 109.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.42 -36.97 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.439 ' O ' ' CE2' ' A' ' 669' ' ' PHE . 5.1 tt -56.87 -33.88 67.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.409 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -68.34 116.73 9.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 60.2 p -78.7 161.89 26.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 1.0 109.477 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 163.9 -103.5 0.21 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.523 -1.431 . . . . 1.0 109.523 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -115.34 162.78 16.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -1.116 . . . . 1.0 109.463 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.72 58.1 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 1.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 62.17 71.38 0.82 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.606 -1.398 . . . . 1.0 109.606 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -49.34 151.05 7.12 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.019 2.48 . . . . 1.0 112.405 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -142.64 63.95 0.5 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 6.1 p90 -135.13 157.62 46.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.216 -1.167 . . . . 1.0 109.486 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' THR . . . . . 0.847 HG23 ' H ' ' A' ' 672' ' ' ASP . 15.1 t -155.37 -161.42 1.17 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.303 -0.873 . . . . 1.0 109.771 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 594' ' ' PRO . 62.5 mt -54.15 -25.47 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 1.0 109.816 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' ASP . . . . . 0.847 ' H ' HG23 ' A' ' 670' ' ' THR . 85.2 m-20 -67.17 -46.89 72.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.216 -0.928 . . . . 1.0 109.223 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.476 ' CG ' HH21 ' A' ' 676' ' ' ARG . 59.7 t0 -57.51 -34.2 68.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 1.0 109.738 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 674' ' ' LEU . 10.9 mp -66.19 -35.61 80.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 1.0 109.404 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.19 -35.99 78.65 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.192 -1.41 . . . . 1.0 107.192 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 673' ' ' ASP . 64.6 mtm180 -70.75 -41.95 71.11 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.61 -47.5 59.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.013 -1.054 . . . . 1.0 108.644 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.33 -32.74 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.83 57.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.726 ' CB ' HD21 ' A' ' 653' ' ' LEU . 87.8 m -64.53 -37.92 89.21 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.372 -0.83 . . . . 1.0 109.106 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.591 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 33.6 t -55.79 -33.76 64.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 1.0 110.443 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -75.28 -27.89 59.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 1.0 109.95 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.37 70.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.061 -1.024 . . . . 1.0 110.844 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -57.09 -52.94 70.39 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.094 -1.004 . . . . 1.0 112.334 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.591 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.1 Cg_endo -62.85 -41.51 29.54 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.687 1.592 . . . . 1.0 112.902 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.56 -42.72 98.34 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.967 -1.083 . . . . 1.0 109.002 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -72.52 -34.12 67.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.26 -0.9 . . . . 1.0 109.43 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.95 82.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.152 -0.967 . . . . 1.0 108.957 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -64.65 -36.97 85.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.378 -0.826 . . . . 1.0 109.342 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -65.2 -45.15 85.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.457 -0.777 . . . . 1.0 109.453 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.88 -36.09 74.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.116 -0.99 . . . . 1.0 108.36 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 561' ' ' LEU . . . -57.08 -38.48 73.37 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.635 -0.876 . . . . 1.0 108.635 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 26.7 t -72.03 -42.94 65.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.443 -0.786 . . . . 1.0 109.724 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.522 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.6 m-85 -66.16 -40.65 90.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.091 -1.006 . . . . 1.0 108.408 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 699' ' ' ALA . 7.9 mp -66.26 -36.64 83.53 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.5 -36.21 68.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.427 -0.795 . . . . 1.0 109.734 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.61 67.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 108.906 -1.678 . . . . 1.0 108.906 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.609 HD21 ' CD1' ' A' ' 639' ' ' LEU . 3.6 p30 -125.66 8.05 7.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.415 -1.05 . . . . 1.0 109.584 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.49 -40.54 62.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.131 -0.981 . . . . 1.0 109.653 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.9 m -48.19 -32.83 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -0.945 . . . . 1.0 109.722 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.61 -39.88 13.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.184 -0.947 . . . . 1.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.513 HD21 ' OD1' ' A' ' 698' ' ' ASN . 35.4 mt -55.09 -32.23 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.763 -1.211 . . . . 1.0 108.484 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 -67.01 1.02 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 1.0 109.158 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 705' ' ' ARG . 14.0 tpt85 63.33 46.95 4.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 1.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 705' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 704' ' ' ARG . 90.7 mtm-85 49.6 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.034 -1.041 . . . . 1.0 109.469 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 43.8 p -74.51 -14.98 60.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 1.0 109.534 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.6 133.32 47.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 1.0 109.469 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.001 -0.999 . . . . 1.0 109.489 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.367 2.507 . . . . 1.0 119.367 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 83.1 p -145.58 162.51 37.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -1.165 . . . . 1.0 109.436 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -91.35 97.75 2.35 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.592 -1.403 . . . . 1.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -58.42 -39.34 79.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -1.16 . . . . 1.0 109.527 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -133.67 82.73 49.99 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.244 -0.91 . . . . 1.0 109.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -85.46 -94.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.78 2.32 . . . . 1.0 112.683 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.427 ' CD1' ' OG ' ' A' ' 622' ' ' SER . 67.6 mt -119.43 149.01 42.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.145 -0.972 . . . . 1.0 109.691 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -103.5 145.66 29.68 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.175 -1.046 . . . . 1.0 108.175 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 699' ' ' ALA . 2.2 tt -53.82 -43.17 69.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.577 -0.702 . . . . 1.0 109.398 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 558' ' ' VAL . 42.8 tp10 -63.61 -41.18 98.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.0 109.845 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.523 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.3 t -74.09 -37.49 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.677 -1.265 . . . . 1.0 107.902 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.3 -42.97 74.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.638 -0.664 . . . . 1.0 109.659 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 555' ' ' GLU . 27.2 m -72.84 -33.57 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.376 -0.827 . . . . 1.0 110.811 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -73.05 -51.47 18.0 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.573 -1.329 . . . . 1.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -61.02 -43.58 98.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.505 -0.747 . . . . 1.0 109.828 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.24 -41.17 90.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.074 -1.016 . . . . 1.0 109.428 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.55 79.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.204 -0.935 . . . . 1.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.486 ' NH1' ' CD1' ' A' ' 564' ' ' LEU . 2.2 ttt-85 -63.27 -33.63 75.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.225 -0.922 . . . . 1.0 109.073 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.7 mp -67.09 -40.29 86.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.413 -0.804 . . . . 1.0 110.076 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.38 -31.89 72.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 1.0 109.92 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -77.3 -48.41 17.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 1.0 108.343 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 571' ' ' THR . . . -59.47 -33.4 76.3 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.1 t -72.16 -48.07 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -1.227 . . . . 1.0 108.391 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.9 m -63.78 -41.59 97.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.355 -0.98 . . . . 1.0 108.355 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 59.5 m -60.97 -42.07 97.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.621 -0.674 . . . . 1.0 109.825 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.55 ' OG1' HG23 ' A' ' 609' ' ' VAL . 12.8 p -63.0 -32.98 74.46 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.192 -0.942 . . . . 1.0 110.376 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.33 -37.85 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.926 -1.109 . . . . 1.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.85 87.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 1.0 108.56 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -58.23 -49.41 77.18 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.536 -0.727 . . . . 1.0 109.728 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.02 -48.74 75.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.375 -0.828 . . . . 1.0 109.535 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.26 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -0.775 . . . . 1.0 109.381 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.29 -39.33 82.64 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.195 -0.94 . . . . 1.0 108.872 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 601' ' ' ASP . 2.8 mm? -63.92 -43.3 96.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.43 -0.794 . . . . 1.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 581' ' ' SER . 96.9 t -67.03 -40.54 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.935 . . . . 1.0 109.492 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 46.66 28.06 3.42 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.414 ' H ' HG12 ' A' ' 579' ' ' VAL . 2.5 m 58.4 51.25 8.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -1.13 . . . . 1.0 109.43 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -58.98 -40.58 85.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.909 . . . . 1.0 109.489 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 582' ' ' ALA . 7.5 p 44.22 90.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.236 -0.915 . . . . 1.0 109.487 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -82.09 -174.15 49.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -53.91 148.76 36.7 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.821 2.347 . . . . 1.0 112.196 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -76.08 -132.95 0.43 Allowed Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.27 -35.1 59.82 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.584 -1.406 . . . . 1.0 109.584 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -69.47 152.22 45.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -1.171 . . . . 1.0 109.516 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -139.52 137.51 35.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 1.0 109.417 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 49.9 m -150.23 156.62 41.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 1.0 109.492 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 592' ' ' SER . 36.8 m -87.79 120.98 29.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.0 109.509 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 591' ' ' THR . 0.8 OUTLIER 164.47 151.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 1.0 109.471 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 48.09 75.08 0.7 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 1.0 109.649 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.8 146.53 8.33 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.811 2.341 . . . . 1.0 112.148 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -93.94 121.38 35.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 1.0 109.435 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.529 ' OE1' HD21 ' A' ' 674' ' ' LEU . 64.6 mt-10 47.82 69.95 2.38 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.183 -0.948 . . . . 1.0 109.689 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.446 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 7.4 Cg_exo -55.57 -43.9 53.4 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.225 1.95 . . . . 1.0 113.319 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 71.7 Cg_endo -84.91 92.74 0.71 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.066 1.844 . . . . 1.0 112.027 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -34.39 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.892 . . . . 1.0 110.089 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -57.42 -37.08 72.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 578' ' ' LEU . 55.2 t0 -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.293 -0.88 . . . . 1.0 109.329 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.5 tt -70.32 -43.22 70.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.394 -0.816 . . . . 1.0 108.999 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -58.27 -35.32 71.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.35 -0.844 . . . . 1.0 109.818 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.04 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.185 -0.947 . . . . 1.0 109.994 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.56 59.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.231 -0.918 . . . . 1.0 110.254 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 602' ' ' LEU . 8.3 p -66.48 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 1.0 109.728 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -68.54 -26.55 65.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.205 -0.934 . . . . 1.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.45 -51.32 44.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.236 -0.915 . . . . 1.0 109.973 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.55 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.08 -43.04 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.129 -0.982 . . . . 1.0 109.28 -179.495 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.59 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 4.7 m-70 -60.86 -43.59 98.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.0 108.87 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.61 -40.98 98.64 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 110.12 -1.192 . . . . 1.0 110.12 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.92 73.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.92 -1.341 . . . . 1.0 109.576 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.924 HG11 ' CD1' ' A' ' 650' ' ' TYR . 71.9 t -64.51 -46.46 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 1.0 109.145 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -53.26 -38.06 62.7 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.05 -32.54 73.07 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -70.23 -44.29 68.86 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.372 -1.344 . . . . 1.0 107.372 178.751 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -61.9 -40.55 95.82 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.889 -1.152 . . . . 1.0 107.889 178.791 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.24 -44.54 62.74 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 1.0 109.585 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.4 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.88 -48.29 77.26 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.059 -1.026 . . . . 1.0 108.644 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.08 95.84 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.439 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.36 -42.92 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.678 -0.639 . . . . 1.0 109.464 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 622' ' ' SER . . . . . 0.427 ' OG ' ' CD1' ' A' ' 552' ' ' LEU . 1.5 p -64.48 -39.68 94.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.31 -0.869 . . . . 1.0 109.056 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 702' ' ' LEU . . . -57.69 -47.66 81.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.332 -0.855 . . . . 1.0 109.51 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.16 -35.55 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.248 -0.908 . . . . 1.0 109.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 28.2 t -51.74 -32.73 31.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.244 -0.91 . . . . 1.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 51.5 p -81.93 4.83 21.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.113 -0.992 . . . . 1.0 108.911 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -59.88 -96.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.387 -0.821 . . . . 1.0 109.746 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 1.2 m 46.35 31.17 1.19 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 1.0 109.377 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -96.41 9.32 41.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 47.32 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 1.0 109.32 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 8.4 t 46.38 87.48 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.0 109.477 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.1 141.0 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.286 -0.884 . . . . 1.0 109.448 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 633' ' ' ARG . . . . . 0.469 HH11 HD21 ' A' ' 701' ' ' LEU . 49.1 mtp180 -127.74 169.39 13.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 1.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 21.4 m -60.37 -35.12 74.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 1.0 109.6 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.75 -48.26 80.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 1.0 109.468 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -58.22 -44.03 87.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.331 -0.988 . . . . 1.0 108.331 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.44 67.64 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.507 -0.746 . . . . 1.0 109.004 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.46 -44.58 96.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.345 -0.847 . . . . 1.0 109.509 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.5 tt -71.16 -46.43 61.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -0.823 . . . . 1.0 109.3 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 44.6 t -58.1 -42.2 85.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 1.0 109.765 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -58.7 -45.57 89.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.078 -1.014 . . . . 1.0 109.949 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.689 ' NE2' ' CZ ' ' A' ' 694' ' ' PHE . 83.5 mt-30 -70.17 -33.42 71.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 1.0 110.216 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.75 -48.17 72.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.147 -0.971 . . . . 1.0 109.816 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.84 -37.49 81.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.282 -0.886 . . . . 1.0 108.966 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -66.72 -36.01 81.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.24 -37.15 83.08 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.042 -1.095 . . . . 1.0 108.042 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -63.2 -52.42 62.37 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.654 0.74 . . . . 1.0 109.168 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -67.43 -43.9 80.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.615 -0.678 . . . . 1.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 23.2 t -61.19 -45.09 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.282 -0.886 . . . . 1.0 110.113 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.924 ' CD1' HG11 ' A' ' 613' ' ' VAL . 36.6 t80 -69.76 -35.69 75.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.98 -1.075 . . . . 1.0 110.671 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.29 -36.01 68.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.674 -1.266 . . . . 1.0 109.937 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 50.5 m -61.69 -43.29 99.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 1.0 109.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 657' ' ' GLY . 86.7 mt -68.89 -36.58 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 1.0 109.694 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 650' ' ' TYR . 77.6 t -61.09 -44.23 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.595 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 659' ' ' VAL . 89.0 t -67.35 -44.19 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.078 -1.014 . . . . 1.0 108.441 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -65.27 -36.34 83.82 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 107.586 -1.264 . . . . 1.0 107.586 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -73.89 -43.68 33.61 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.389 -1.484 . . . . 1.0 109.389 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -55.73 -30.54 61.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -1.169 . . . . 1.0 109.565 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -64.56 -36.65 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 1.0 110.009 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.641 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.2 -25.47 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.114 -0.991 . . . . 1.0 109.513 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -78.21 117.2 19.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.391 -0.818 . . . . 1.0 109.762 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m -63.08 154.85 29.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.144 -0.973 . . . . 1.0 109.499 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -149.07 -179.75 25.21 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.611 -1.395 . . . . 1.0 109.611 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -76.93 -7.37 55.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -1.156 . . . . 1.0 109.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.51 -42.38 89.92 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.507 -1.437 . . . . 1.0 109.507 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . 128.23 -51.13 0.86 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.476 -1.449 . . . . 1.0 109.476 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 31.7 Cg_exo -57.7 152.99 45.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.979 2.453 . . . . 1.0 112.132 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.08 9.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.713 -1.355 . . . . 1.0 109.713 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 50.4 p90 -133.98 163.75 28.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -1.092 . . . . 1.0 109.53 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 19.7 p -134.19 -175.73 3.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -0.889 . . . . 1.0 110.028 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.72 -23.91 13.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.0 109.722 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -66.22 -44.74 82.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.173 -0.954 . . . . 1.0 108.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -57.88 -35.33 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 1.0 109.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.529 HD21 ' OE1' ' A' ' 596' ' ' GLU . 11.0 mp -60.24 -42.76 95.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.297 -0.877 . . . . 1.0 109.025 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.32 -35.78 76.4 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.321 -1.363 . . . . 1.0 107.321 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 91.0 mtt-85 -73.7 -38.92 64.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.67 -49.63 61.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.932 -1.105 . . . . 1.0 108.58 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 67.2 t -55.24 -31.03 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -68.55 -40.55 80.63 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.28 -41.77 93.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.403 -0.81 . . . . 1.0 108.924 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.657 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.05 -31.95 65.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 1.0 110.271 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.45 -32.04 58.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.755 -1.216 . . . . 1.0 109.508 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.139 -0.976 . . . . 1.0 110.906 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -56.36 -51.29 82.14 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.815 -1.178 . . . . 1.0 112.276 -176.132 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.657 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.8 Cg_exo -66.41 -42.01 10.84 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.569 1.512 . . . . 1.0 112.481 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.65 -44.36 94.04 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.059 -1.026 . . . . 1.0 108.953 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.83 -37.65 64.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -0.797 . . . . 1.0 110.597 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.68 97.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.799 -1.188 . . . . 1.0 109.291 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -65.68 -38.69 89.96 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.16 -0.962 . . . . 1.0 108.99 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -59.67 -45.49 91.9 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -0.892 . . . . 1.0 108.986 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.581 ' O ' HD13 ' A' ' 695' ' ' LEU . 8.0 mp -58.9 -36.98 75.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 1.0 108.703 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.93 81.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.285 -0.884 . . . . 1.0 109.193 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.8 m -68.57 -43.56 76.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.905 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.689 ' CZ ' ' NE2' ' A' ' 642' ' ' GLN . 3.1 m-85 -64.6 -36.32 83.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.098 -1.002 . . . . 1.0 109.038 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 691' ' ' LEU . 6.4 mp -61.08 -37.63 83.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 1.0 108.925 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -61.33 -45.6 93.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.927 . . . . 1.0 110.46 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.07 -21.18 75.4 Favored Glycine 0 N--CA 1.495 2.579 0 C-N-CA 119.993 -1.098 . . . . 1.0 110.416 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.606 ' ND2' ' N ' ' A' ' 698' ' ' ASN . 0.1 OUTLIER -111.84 2.6 17.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.876 -1.367 . . . . 1.0 110.15 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 554' ' ' LEU . . . -59.18 -22.42 60.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.109 -0.995 . . . . 1.0 109.458 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 41.5 t -67.73 -46.98 70.62 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 701' ' ' LEU . 11.2 mp -101.59 -20.28 15.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.473 -0.767 . . . . 1.0 110.146 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 623' ' ' ALA . 48.8 tp -65.73 -26.87 67.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.836 -1.165 . . . . 1.0 108.613 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.56 -74.27 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.437 -0.79 . . . . 1.0 109.42 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -89.87 -118.26 0.06 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.0 109.763 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.3 -25.76 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 1.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 24.5 p -85.15 162.67 19.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 1.0 109.417 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -72.64 166.21 23.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 1.0 109.387 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.964 -1.017 . . . . 1.0 109.518 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.885 0 N-CA-C 119.368 2.507 . . . . 1.0 119.368 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 33.0 t -59.49 -33.83 71.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -1.144 . . . . 1.0 109.445 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -63.98 124.62 30.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -97.24 5.23 50.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.2 -1.176 . . . . 1.0 109.399 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -118.06 87.58 29.11 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.256 -0.903 . . . . 1.0 109.651 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.39 -65.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.056 1.837 . . . . 1.0 112.605 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 13.9 mt -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.493 -0.754 . . . . 1.0 109.187 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -103.97 148.12 26.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.13 -0.981 . . . . 1.0 109.317 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.542 ' CD1' ' HB1' ' A' ' 699' ' ' ALA . 21.1 tp -55.85 -40.58 73.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.454 -0.779 . . . . 1.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.47 -42.41 83.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.427 -0.796 . . . . 1.0 110.493 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.642 ' O ' ' OG1' ' A' ' 560' ' ' THR . 76.5 t -69.98 -48.49 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.639 -1.288 . . . . 1.0 107.549 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.66 -40.24 71.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.446 -0.946 . . . . 1.0 108.446 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.94 -35.98 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.448 -0.782 . . . . 1.0 109.62 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.95 -48.54 44.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.927 -1.108 . . . . 1.0 108.78 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.9 -45.05 95.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.777 -0.577 . . . . 1.0 110.152 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.4 -28.87 69.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.241 -0.912 . . . . 1.0 109.859 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.2 81.59 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.81 . . . . 1.0 109.435 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 62.3 mtm-85 -66.47 -32.13 73.3 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.285 -0.884 . . . . 1.0 109.449 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.1 mp -72.59 -41.25 65.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 1.0 109.247 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.76 -36.19 76.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 1.0 110.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 566' ' ' GLN . 10.2 pt20 -79.14 -43.09 24.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.577 -1.327 . . . . 1.0 108.889 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.01 -32.41 82.11 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 108.76 -1.736 . . . . 1.0 108.76 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 564' ' ' LEU . 80.6 t -71.06 -49.04 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.353 -1.086 . . . . 1.0 108.938 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 13.9 m -66.34 -38.54 87.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 1.0 108.71 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.3 m -61.59 -42.57 99.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.685 . . . . 1.0 109.947 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 609' ' ' VAL . 35.3 p -66.03 -33.51 75.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.179 -0.95 . . . . 1.0 109.718 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.79 -38.76 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.0 109.228 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.68 -38.65 82.12 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.15 -51.56 67.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.649 -0.657 . . . . 1.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 575' ' ' LEU . 0.2 OUTLIER -57.71 -49.15 77.48 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.368 -0.832 . . . . 1.0 109.608 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.0 -36.34 81.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 1.0 109.184 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.7 m-20 -60.0 -39.79 86.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.892 . . . . 1.0 109.15 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 605' ' ' ALA . 12.4 mt -62.62 -37.79 87.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.383 -0.823 . . . . 1.0 109.353 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.27 -40.69 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 1.0 109.507 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -57.51 -38.85 89.36 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 83.2 p -66.59 -26.66 67.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.319 -1.106 . . . . 1.0 109.477 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -64.06 -26.01 68.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.0 109.475 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 582' ' ' ALA . 6.1 t 50.47 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.0 109.387 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -59.74 166.1 10.19 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.07 -24.33 76.47 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.796 2.33 . . . . 1.0 112.201 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 48.25 -172.33 0.05 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.565 -1.414 . . . . 1.0 109.565 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.69 67.96 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.479 -1.448 . . . . 1.0 109.479 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -147.16 170.28 17.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.258 -1.142 . . . . 1.0 109.437 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -147.05 153.11 39.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.152 -0.968 . . . . 1.0 109.505 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 14.2 m -73.18 -74.53 0.17 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 1.0 109.535 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 162.63 35.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 1.0 109.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 34.7 t -101.3 144.3 30.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.0 109.522 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -132.58 159.67 71.48 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.335 -0.853 . . . . 1.0 109.296 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.27 142.54 2.63 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.478 2.119 . . . . 1.0 112.327 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -139.52 19.52 2.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -0.922 . . . . 1.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.782 ' O ' HG13 ' A' ' 599' ' ' VAL . 0.0 OUTLIER -99.08 -45.91 0.22 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 1.0 110.156 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.632 ' C ' ' H ' ' A' ' 599' ' ' VAL . 46.2 Cg_exo -54.95 -41.57 77.4 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.563 2.176 . . . . 1.0 111.878 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 53.3 Cg_exo -53.0 8.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.973 1.782 . . . . 1.0 112.137 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 596' ' ' GLU . 2.3 m -58.22 -40.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.256 -0.903 . . . . 1.0 109.72 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.26 -45.43 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -0.973 . . . . 1.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.15 -37.95 78.52 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.474 -0.766 . . . . 1.0 109.104 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.6 tt -74.56 -41.66 60.15 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.46 -0.775 . . . . 1.0 109.106 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -32.02 73.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.531 -0.73 . . . . 1.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.8 57.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.0 109.902 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 578' ' ' LEU . . . -68.99 -47.67 64.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.0 110.135 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 2.7 p -61.13 -35.73 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.007 . . . . 1.0 109.808 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -69.77 -28.57 65.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 1.0 109.842 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.71 -52.83 33.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 1.0 110.191 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.869 ' O ' HG23 ' A' ' 613' ' ' VAL . 2.7 p -63.43 -43.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.935 -1.103 . . . . 1.0 109.565 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.717 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 7.2 t-80 -60.49 -47.44 86.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.123 -0.986 . . . . 1.0 108.973 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.22 -40.77 96.23 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 109.144 -1.582 . . . . 1.0 109.144 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.04 77.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -1.125 . . . . 1.0 109.776 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 609' ' ' VAL . 18.7 t -67.43 -44.61 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.927 -1.108 . . . . 1.0 108.876 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -36.98 61.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -0.758 . . . . 1.0 109.666 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.25 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.266 -1.012 . . . . 1.0 108.266 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.597 HD22 ' HB1' ' A' ' 688' ' ' ALA . 6.4 tp -66.65 -44.07 82.88 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -45.02 95.78 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.856 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.72 -45.13 60.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.95 -1.094 . . . . 1.0 111.125 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.441 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -62.42 -47.56 83.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.748 -1.22 . . . . 1.0 109.69 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.1 89.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.99 -1.069 . . . . 1.0 109.589 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -38.74 82.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.163 -0.961 . . . . 1.0 109.078 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 622' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 625' ' ' SER . 24.2 m -57.78 -42.93 85.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 1.0 108.369 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.75 76.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 1.0 109.794 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.07 -35.53 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.948 . . . . 1.0 109.709 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 622' ' ' SER . 84.8 p -59.31 -33.36 71.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 1.0 109.618 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 702' ' ' LEU . 92.3 p -66.94 -25.23 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.963 . . . . 1.0 108.921 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -75.76 129.69 37.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.372 -0.83 . . . . 1.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -4.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.203 -0.935 . . . . 1.0 109.48 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.438 ' C ' HG23 ' A' ' 630' ' ' THR . 97.5 m-70 -105.12 166.9 10.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 1.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.438 HG23 ' C ' ' A' ' 629' ' ' HIS . 1.6 p 57.83 165.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.0 109.441 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 60.4 p -73.38 164.96 25.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 1.0 109.415 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.33 138.44 56.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.279 -0.888 . . . . 1.0 109.398 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -108.05 165.46 11.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.926 . . . . 1.0 109.372 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.3 p -59.47 -33.32 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 1.0 109.497 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 697' ' ' GLY . 69.1 mt -58.06 -46.25 85.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 1.0 109.43 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -62.91 -45.6 91.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.193 -0.942 . . . . 1.0 108.541 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.94 75.24 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -63.69 -46.02 87.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.447 -0.783 . . . . 1.0 109.178 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.635 HD22 HD22 ' A' ' 698' ' ' ASN . 27.0 tp -62.97 -46.54 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 1.0 109.442 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -42.26 98.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.158 -0.964 . . . . 1.0 109.293 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.47 -44.35 97.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 1.0 109.631 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.445 ' CB ' HD11 ' A' ' 691' ' ' LEU . 83.3 mm-40 -72.05 -47.01 54.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 1.0 109.657 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -59.24 -45.17 91.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.409 -0.807 . . . . 1.0 110.003 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.64 -32.04 73.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.112 -0.993 . . . . 1.0 109.024 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -65.57 -39.65 91.9 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.83 -38.92 90.2 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -60.68 -51.23 70.24 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.59 0.709 . . . . 1.0 109.102 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -66.26 -41.72 89.5 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.572 -0.705 . . . . 1.0 109.266 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 645' ' ' LYS . 92.1 t -65.65 -39.17 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 1.0 110.088 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.717 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 6.0 t80 -63.5 -35.48 80.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.949 -1.094 . . . . 1.0 110.037 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.37 -31.8 72.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.048 -1.033 . . . . 1.0 109.725 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.5 m -64.95 -37.9 89.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.13 -0.981 . . . . 1.0 109.266 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 657' ' ' GLY . 5.2 mt -65.79 -37.05 85.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.361 -0.837 . . . . 1.0 109.562 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 658' ' ' GLN . 77.7 t -60.18 -43.27 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.017 . . . . 1.0 109.254 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.06 -46.97 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.031 -1.043 . . . . 1.0 108.423 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.35 -36.81 83.4 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.766 -1.198 . . . . 1.0 107.766 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -75.26 -40.55 33.55 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.0 mm-40 -54.7 -30.03 54.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -1.217 . . . . 1.0 109.223 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.54 -39.54 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 1.0 109.628 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 602' ' ' LEU . 2.6 tt -81.01 75.45 7.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -0.85 . . . . 1.0 109.411 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 662' ' ' SER . 48.5 t0 -173.5 -117.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 1.0 109.515 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 661' ' ' ASP . 30.9 t -153.88 -120.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 1.0 109.524 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLY . . . . . 0.424 ' N ' ' OG ' ' A' ' 662' ' ' SER . . . 88.43 -165.06 33.67 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.608 -1.397 . . . . 1.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -55.3 141.82 34.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.223 -1.163 . . . . 1.0 109.606 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.65 -168.36 54.74 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.624 -1.39 . . . . 1.0 109.624 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -139.26 72.48 0.42 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.01 149.52 70.35 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.945 2.43 . . . . 1.0 112.141 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -138.06 159.18 25.03 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.62 -1.392 . . . . 1.0 109.62 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -144.92 166.06 26.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.317 -1.108 . . . . 1.0 109.546 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 11.0 p -127.94 173.52 9.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.25 -0.906 . . . . 1.0 109.982 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.63 -26.11 30.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 1.0 109.554 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.91 -47.13 72.73 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.225 -0.922 . . . . 1.0 108.833 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -56.84 -36.68 70.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.4 -0.812 . . . . 1.0 109.59 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.08 -35.08 80.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.29 -0.881 . . . . 1.0 109.171 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.61 -36.63 79.05 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.063 -1.458 . . . . 1.0 107.063 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 676' ' ' ARG . 19.8 mtp-105 -73.65 -37.11 65.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.8 -48.71 58.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.059 . . . . 1.0 108.643 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.58 -30.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 107.763 -1.199 . . . . 1.0 107.763 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.58 -47.69 58.95 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.734 -0.839 . . . . 1.0 108.734 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 16.3 m -67.68 -42.56 81.89 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.246 -0.909 . . . . 1.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.67 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -59.62 -31.22 69.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.885 . . . . 1.0 110.259 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -75.13 -26.96 59.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.887 -1.133 . . . . 1.0 110.003 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.5 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.13 -0.981 . . . . 1.0 111.894 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.577 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 1.7 t -63.63 -49.38 77.46 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.772 -1.205 . . . . 1.0 112.515 -178.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.67 ' CD ' ' O ' ' A' ' 681' ' ' SER . 19.0 Cg_endo -64.05 -43.21 16.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.717 1.612 . . . . 1.0 112.456 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -66.24 -37.72 86.19 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -73.12 -32.13 64.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.786 -0.82 . . . . 1.0 108.786 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' ALA . . . . . 0.597 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -59.56 -41.04 89.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.288 -0.882 . . . . 1.0 108.699 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -42.01 87.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.445 -0.784 . . . . 1.0 109.138 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.31 -42.08 99.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.842 . . . . 1.0 108.968 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 691' ' ' LEU . 2.6 mm? -60.95 -33.69 73.59 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.242 -1.021 . . . . 1.0 108.242 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.87 72.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 22.5 m -65.83 -39.94 91.3 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.402 -0.812 . . . . 1.0 109.337 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -65.08 -32.9 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.0 108.895 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 702' ' ' LEU . 3.2 mm? -61.24 -38.75 87.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.283 -0.886 . . . . 1.0 109.242 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -66.64 -44.64 81.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.199 -0.938 . . . . 1.0 110.645 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -62.07 -24.79 65.44 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.765 -1.334 . . . . 1.0 109.765 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.635 HD22 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -109.0 1.01 20.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.125 -1.221 . . . . 1.0 109.31 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.542 ' HB1' ' CD1' ' A' ' 554' ' ' LEU . . . -59.02 -29.36 67.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.336 -0.853 . . . . 1.0 109.555 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -49.11 77.18 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.184 -0.947 . . . . 1.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.2 -13.94 16.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.211 -0.93 . . . . 1.0 111.204 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 695' ' ' LEU . 60.8 tp -66.75 -29.96 70.06 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.757 -1.214 . . . . 1.0 108.716 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.56 -88.11 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -173.14 105.98 0.14 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.459 -0.776 . . . . 1.0 109.438 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -67.09 143.48 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 1.0 109.232 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 26.8 p -113.99 165.99 12.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 1.0 109.574 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -81.98 139.29 34.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 1.0 109.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 118.036 -0.983 . . . . 1.0 109.49 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.465 2.546 . . . . 1.0 119.465 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 97.3 p -63.31 -20.16 65.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -1.158 . . . . 1.0 109.408 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.09 -177.02 15.06 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -58.41 145.74 37.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -1.132 . . . . 1.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -128.53 83.88 64.83 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.292 -0.88 . . . . 1.0 109.194 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -82.06 158.04 17.89 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.426 2.084 . . . . 1.0 112.525 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.54 125.88 46.93 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.06 -0.718 . . . . 1.0 109.06 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.91 169.25 10.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 1.0 109.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.32 -43.2 74.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 1.0 110.339 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 555' ' ' GLU . 58.2 mp0 -63.09 -42.94 99.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 1.0 110.189 -178.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.8 t -71.45 -36.09 59.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.817 -1.179 . . . . 1.0 107.817 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.54 72.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.674 -0.641 . . . . 1.0 110.684 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 562' ' ' ALA . 1.8 m -69.65 -34.57 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.398 -1.439 . . . . 1.0 108.382 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -72.14 -51.26 22.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 1.0 108.845 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -59.98 -49.31 78.19 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.395 -0.816 . . . . 1.0 110.127 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -67.29 -35.2 78.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.856 -1.152 . . . . 1.0 109.428 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 562' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 558' ' ' VAL . . . -65.12 -41.2 95.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 1.0 109.751 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -62.14 -31.75 72.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.099 -1.0 . . . . 1.0 109.492 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.2 mp -67.09 -40.74 87.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.465 -0.772 . . . . 1.0 109.858 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.71 -32.02 73.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.362 -0.836 . . . . 1.0 109.594 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -77.87 -51.19 10.85 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.189 -0.944 . . . . 1.0 108.634 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.49 -33.88 88.42 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.212 -1.155 . . . . 1.0 110.212 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 564' ' ' LEU . 81.7 t -73.36 -48.66 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.903 -1.351 . . . . 1.0 108.808 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.91 -38.64 86.6 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.79 -0.818 . . . . 1.0 108.79 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 m -61.85 -43.49 98.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.51 -0.744 . . . . 1.0 109.865 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 567' ' ' GLY . 77.8 p -65.87 -35.57 81.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 1.0 109.721 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 568' ' ' VAL . 74.1 t -61.4 -36.83 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.166 -0.958 . . . . 1.0 109.224 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.44 -38.12 79.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.134 -0.979 . . . . 1.0 108.561 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -55.78 -51.63 66.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.572 -0.705 . . . . 1.0 109.585 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 579' ' ' VAL . 6.7 tp -58.68 -49.67 76.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.365 -0.834 . . . . 1.0 109.371 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 576' ' ' LEU . . . . . 0.43 HD12 HG12 ' A' ' 572' ' ' VAL . 13.7 mt -65.49 -36.02 82.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.515 -0.741 . . . . 1.0 109.645 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 573' ' ' ALA . 54.2 t0 -72.76 -37.31 67.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.133 -0.979 . . . . 1.0 109.087 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.625 HD11 ' OD2' ' A' ' 601' ' ' ASP . 8.6 tp -69.82 -44.28 70.31 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 1.0 109.342 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 575' ' ' LEU . 27.4 m -81.11 -15.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.0 109.438 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -46.56 -37.48 8.75 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 582' ' ' ALA . 27.6 m -60.32 -35.58 75.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -1.172 . . . . 1.0 109.496 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 581' ' ' SER . . . 48.98 -175.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.216 -0.928 . . . . 1.0 109.491 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 23.7 t -59.56 -34.44 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.216 -0.927 . . . . 1.0 109.459 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 91.09 -167.66 31.88 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.509 -1.436 . . . . 1.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -52.95 153.16 15.97 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.741 2.294 . . . . 1.0 112.357 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 105.97 -47.63 1.04 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 61.56 -119.39 18.16 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.547 -1.421 . . . . 1.0 109.547 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -92.04 143.8 26.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -1.115 . . . . 1.0 109.532 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -146.23 -86.52 0.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 1.0 109.411 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 13.7 p -110.23 12.46 23.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.27 -0.894 . . . . 1.0 109.586 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 2.9 m 46.83 39.77 7.89 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 1.0 109.512 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 34.5 t -108.65 144.72 36.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 1.0 109.435 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.77 68.33 2.69 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.173 -0.954 . . . . 1.0 109.483 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.77 -30.91 24.3 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.724 2.283 . . . . 1.0 112.359 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -111.85 123.5 50.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.89 . . . . 1.0 109.298 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.652 ' H ' ' CD ' ' A' ' 597' ' ' PRO . 1.7 tm-20 -106.84 -43.04 0.13 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 1.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.652 ' CD ' ' H ' ' A' ' 596' ' ' GLU . 3.3 Cg_endo -74.45 158.88 43.91 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.104 1.87 . . . . 1.0 112.84 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.26 125.38 16.2 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.926 1.751 . . . . 1.0 111.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.4 t -71.56 -37.97 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.402 -0.811 . . . . 1.0 109.915 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 601' ' ' ASP . 18.0 pt20 -56.66 -42.05 78.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.253 -0.904 . . . . 1.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.625 ' OD2' HD11 ' A' ' 578' ' ' LEU . 48.3 t0 -61.96 -39.24 91.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.326 -0.859 . . . . 1.0 109.575 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 606' ' ' VAL . 42.8 tp -67.05 -42.04 85.47 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.287 -0.883 . . . . 1.0 109.612 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -71.0 -31.49 68.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0 109.534 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.93 -46.43 52.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 1.0 110.025 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.76 81.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.987 . . . . 1.0 110.089 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 602' ' ' LEU . 11.8 p -63.61 -36.4 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.066 -1.021 . . . . 1.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.32 -34.19 70.33 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.0 109.591 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.8 -45.21 71.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.0 109.866 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.582 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.71 -41.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.0 109.149 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.605 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.2 m80 -64.01 -41.83 97.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 1.0 109.123 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.71 97.78 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.893 -1.283 . . . . 1.0 109.893 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.76 70.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.978 -1.307 . . . . 1.0 109.617 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 684' ' ' VAL . 86.3 t -70.81 -47.16 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 1.0 108.836 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -54.7 -34.5 62.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.211 -0.93 . . . . 1.0 108.679 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -29.44 67.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.154 -0.966 . . . . 1.0 108.807 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 564' ' ' LEU . 16.1 tp -71.39 -43.94 65.9 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.449 HD23 ' OE2' ' A' ' 647' ' ' GLU . 1.0 OUTLIER -61.6 -34.43 75.62 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.177 -1.046 . . . . 1.0 108.177 178.294 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.52 -44.21 62.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.621 -0.675 . . . . 1.0 109.937 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.529 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -62.77 -46.48 87.82 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.862 -1.149 . . . . 1.0 108.205 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.25 -38.55 89.69 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.55 -46.54 87.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.685 -0.634 . . . . 1.0 109.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.8 t -58.78 -39.47 81.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.9 . . . . 1.0 109.095 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -65.48 -36.93 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.455 -0.778 . . . . 1.0 109.716 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 620' ' ' ALA . 84.2 t -66.22 -42.85 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 1.0 109.616 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 23.3 t -60.18 -35.5 75.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 40.4 t -85.4 8.95 17.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 1.0 109.26 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -77.79 124.97 28.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.0 109.447 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 37.7 m -138.63 128.18 24.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 1.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 630' ' ' THR . 53.7 t-80 -163.1 172.91 14.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 1.0 109.494 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.533 ' O ' ' ND1' ' A' ' 629' ' ' HIS . 15.9 p -116.35 166.43 12.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 1.0 109.472 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 632' ' ' ASP . 0.2 OUTLIER 48.87 20.24 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 1.0 109.522 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 631' ' ' SER . 91.4 m-20 52.62 173.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.266 -0.896 . . . . 1.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -143.21 142.56 31.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.287 -0.883 . . . . 1.0 109.447 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 57.8 p -63.02 -38.59 91.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 1.0 109.649 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 635' ' ' LEU . 10.1 mp -58.49 -45.5 88.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -63.24 -43.02 99.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.092 -1.005 . . . . 1.0 108.35 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.81 78.07 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.76 -0.83 . . . . 1.0 108.76 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -44.47 92.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.467 -0.771 . . . . 1.0 109.109 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 62.1 tp -59.27 -46.99 87.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.0 109.709 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 13.5 t -61.91 -46.92 87.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.206 -0.934 . . . . 1.0 109.994 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -61.5 -47.2 86.7 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.448 -0.782 . . . . 1.0 110.335 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.58 -43.25 66.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.054 -1.029 . . . . 1.0 109.929 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.18 -43.35 78.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.244 -0.91 . . . . 1.0 109.777 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 1.0 108.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttpt -64.0 -40.19 95.81 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 107.914 -1.143 . . . . 1.0 107.914 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.683 ' HG3' HD11 ' A' ' 691' ' ' LEU . 92.8 mmm -66.74 -38.14 86.04 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.193 -1.039 . . . . 1.0 108.193 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.449 ' OE2' HD23 ' A' ' 617' ' ' LEU . 50.3 mm-40 -60.59 -50.76 72.23 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.915 -0.772 . . . . 1.0 108.915 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.41 -41.85 88.67 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.158 -0.617 . . . . 1.0 109.401 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.1 t -69.44 -41.62 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 1.0 110.282 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.605 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 19.8 t80 -58.47 -36.61 73.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.936 -1.103 . . . . 1.0 109.736 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.98 -32.82 71.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 1.0 109.133 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 63.7 m -65.91 -37.02 84.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.198 -0.939 . . . . 1.0 109.126 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.682 HD13 ' SG ' ' A' ' 680' ' ' CYS . 83.4 mt -70.61 -34.59 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 1.0 109.432 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 75.2 t -59.17 -42.7 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 1.0 109.647 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 659' ' ' VAL . 55.4 t -67.76 -43.16 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.039 -1.038 . . . . 1.0 108.528 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -63.85 -37.11 86.16 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.551 -1.277 . . . . 1.0 107.551 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -75.56 -41.86 28.52 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.501 -1.44 . . . . 1.0 109.501 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 5.7 mm-40 -55.06 -22.1 14.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.178 -1.189 . . . . 1.0 109.597 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 655' ' ' VAL . 74.8 t -61.53 -31.65 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 1.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 669' ' ' PHE . 95.3 mt -53.27 -34.8 58.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.1 -1.0 . . . . 1.0 109.608 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -75.93 87.3 2.89 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 1.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 664' ' ' ARG . 87.0 p -64.25 -32.14 73.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.0 109.624 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.36 -7.68 0.56 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 662' ' ' SER . 83.0 mtp180 -143.9 149.13 36.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.175 -1.191 . . . . 1.0 109.538 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.22 -9.39 1.45 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.454 -1.458 . . . . 1.0 109.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 664' ' ' ARG . . . -47.69 167.14 0.12 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.627 -1.389 . . . . 1.0 109.627 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.34 -25.71 74.09 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.964 2.443 . . . . 1.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 63.96 -96.59 0.2 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.381 -1.487 . . . . 1.0 109.381 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.433 ' CE2' HD23 ' A' ' 660' ' ' LEU . 52.2 p90 -133.21 168.55 18.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -1.168 . . . . 1.0 109.585 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.4 p -116.15 175.41 5.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.126 -0.984 . . . . 1.0 109.78 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.88 -25.54 43.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 1.0 109.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.0 -47.62 83.96 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.33 -0.856 . . . . 1.0 109.178 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.21 -32.89 64.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.305 -0.872 . . . . 1.0 109.67 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.73 -39.4 93.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 1.0 109.255 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.36 -36.02 74.97 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.251 -1.389 . . . . 1.0 107.251 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -71.07 -41.39 70.78 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.815 -0.553 . . . . 1.0 109.569 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.67 -48.29 55.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.972 -1.08 . . . . 1.0 109.035 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.427 HG23 ' HG ' ' A' ' 674' ' ' LEU . 53.0 t -56.6 -32.18 36.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 679' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 682' ' ' ARG . . . -71.1 -31.82 68.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -79.92 -41.93 25.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.314 -0.866 . . . . 1.0 109.391 179.341 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.666 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -56.42 -35.15 67.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.27 -0.893 . . . . 1.0 110.492 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 679' ' ' ALA . 1.9 ptt180 -78.82 -29.03 44.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.743 -1.223 . . . . 1.0 110.224 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.75 64.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.053 -1.029 . . . . 1.0 111.35 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 613' ' ' VAL . 0.9 OUTLIER -65.81 -48.66 62.27 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.024 -1.048 . . . . 1.0 112.406 -177.079 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.666 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.2 Cg_exo -68.32 -43.38 4.47 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 121.89 1.727 . . . . 1.0 112.872 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 686' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 690' ' ' GLN . 0.4 OUTLIER -61.46 -37.18 82.65 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.891 -1.131 . . . . 1.0 108.199 179.644 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.54 -30.89 61.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.666 -0.646 . . . . 1.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' ALA . . . . . 0.474 ' HB1' ' CD2' ' A' ' 616' ' ' LEU . . . -59.53 -41.16 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.14 -0.975 . . . . 1.0 108.503 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 689' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 17.3 mtmt -65.1 -38.03 89.41 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 690' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 686' ' ' GLU . 70.4 mt-30 -60.11 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.687 -0.857 . . . . 1.0 108.687 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.683 HD11 ' HG3' ' A' ' 646' ' ' MET . 95.4 mt -58.99 -35.29 72.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 689' ' ' LYS . . . -58.64 -41.04 85.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.644 -0.66 . . . . 1.0 109.91 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 36.8 t -71.53 -43.69 65.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.981 . . . . 1.0 110.072 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.432 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 3.1 m-85 -69.09 -37.02 78.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 1.0 108.79 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 699' ' ' ALA . 3.0 tp -65.68 -36.19 82.93 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.829 -1.175 . . . . 1.0 107.829 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.01 -38.06 72.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.53 -0.731 . . . . 1.0 109.367 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 635' ' ' LEU . . . -62.07 -25.05 65.75 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.869 -1.692 . . . . 1.0 108.869 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.608 ' ND2' ' N ' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -120.69 0.57 10.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -1.049 . . . . 1.0 109.521 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.23 -37.68 48.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 1.0 109.401 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 34.0 m -51.98 -35.6 46.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.259 -0.901 . . . . 1.0 109.777 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.5 mp -90.07 -38.61 13.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -0.979 . . . . 1.0 110.607 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 78.6 mt -52.21 -32.95 38.91 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.028 -1.101 . . . . 1.0 108.028 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -117.12 -72.82 0.67 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 63.95 1.2 1.09 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 1.0 109.847 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 67.4 mmt-85 -56.78 -30.68 63.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 1.0 109.295 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 41.3 p -53.04 135.73 36.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 1.0 109.504 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? 52.21 42.81 30.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.0 109.493 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 117.983 -1.008 . . . . 1.0 109.47 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.835 0 N-CA-C 119.439 2.536 . . . . 1.0 119.439 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 86.9 p -62.67 -25.7 68.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.275 -1.132 . . . . 1.0 109.487 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 98.46 130.36 6.8 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.544 -1.422 . . . . 1.0 109.544 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.23 -34.77 68.92 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -1.173 . . . . 1.0 109.373 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 49.38 80.16 0.31 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.331 -0.856 . . . . 1.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -80.55 145.25 16.35 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.817 2.344 . . . . 1.0 112.37 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 57.4 mt -109.44 151.71 26.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 1.0 109.174 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -100.44 165.17 11.57 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.86 . . . . 1.0 108.919 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 699' ' ' ALA . 23.0 tp -57.19 -45.28 83.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.57 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.3 mt-10 -66.13 -46.83 76.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 1.0 110.295 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.503 ' O ' ' OG1' ' A' ' 560' ' ' THR . 78.2 t -67.33 -49.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.751 -1.218 . . . . 1.0 108.546 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.57 66.73 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.604 -0.685 . . . . 1.0 110.413 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 559' ' ' GLU . 0.9 OUTLIER -63.59 -45.11 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.634 -1.291 . . . . 1.0 108.81 -179.266 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 559' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.5 OUTLIER -73.54 -46.74 45.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.464 -0.773 . . . . 1.0 110.366 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.67 -41.27 88.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.953 -1.092 . . . . 1.0 110.691 -178.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.64 -31.96 72.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.583 -1.323 . . . . 1.0 108.188 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.627 -0.67 . . . . 1.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -66.14 -33.94 76.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 1.0 109.238 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 616' ' ' LEU . 2.3 mp -64.7 -42.15 95.5 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 1.0 109.8 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.9 -33.28 73.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.353 -0.842 . . . . 1.0 110.68 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.77 -45.39 21.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.84 -1.163 . . . . 1.0 108.415 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.4 83.25 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.441 -1.463 . . . . 1.0 109.441 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 564' ' ' LEU . 64.3 t -71.15 -48.52 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.304 . . . . 1.0 108.537 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 85.4 p -66.21 -37.02 84.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.166 -0.959 . . . . 1.0 108.754 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.7 m -62.79 -42.57 99.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.611 -0.681 . . . . 1.0 110.315 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 609' ' ' VAL . 18.1 p -68.0 -36.88 80.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.103 -0.998 . . . . 1.0 110.519 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.61 HG21 ' HG3' ' A' ' 685' ' ' PRO . 97.9 t -69.3 -35.83 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.948 -1.095 . . . . 1.0 109.36 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.88 82.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.097 -1.002 . . . . 1.0 108.543 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.24 -49.76 75.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.647 -0.658 . . . . 1.0 109.762 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.4 tp -58.04 -49.22 77.64 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.274 -0.891 . . . . 1.0 109.334 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.97 -41.57 70.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.446 -0.784 . . . . 1.0 109.336 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.92 -43.32 94.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.301 -0.874 . . . . 1.0 109.055 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.39 -41.13 94.02 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 1.0 109.458 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 575' ' ' LEU . 79.7 t -65.27 -41.8 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.0 109.652 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 580' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 581' ' ' SER . . . 60.33 33.66 81.63 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.699 -1.36 . . . . 1.0 109.699 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 580' ' ' GLY . 0.5 OUTLIER 69.05 18.79 8.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -1.16 . . . . 1.0 109.381 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.487 ' H ' HG12 ' A' ' 579' ' ' VAL . . . 47.32 -124.59 1.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 1.0 109.497 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 582' ' ' ALA . 3.6 m 47.1 93.64 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.31 -0.869 . . . . 1.0 109.496 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -69.07 167.04 46.81 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.56 -17.42 58.24 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.829 2.353 . . . . 1.0 112.181 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 588' ' ' TRP . . . -54.0 156.47 6.45 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 587' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 588' ' ' TRP . . . -74.45 32.06 0.99 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.514 -1.434 . . . . 1.0 109.514 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' A' ' 586' ' ' GLY . 0.0 OUTLIER 53.11 176.93 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -1.169 . . . . 1.0 109.457 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 57.55 46.87 17.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 1.0 109.455 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 47.0 m -124.44 148.58 47.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 1.0 109.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 592' ' ' SER . 29.0 p -82.25 161.02 22.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.263 -0.898 . . . . 1.0 109.484 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 591' ' ' THR . 0.5 OUTLIER 53.92 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 1.0 109.408 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.16 60.93 52.32 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 1.0 109.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.72 153.74 54.01 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.696 2.264 . . . . 1.0 112.164 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.01 142.96 53.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 1.0 109.427 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 597' ' ' PRO . 2.3 mt-10 -109.71 -43.29 0.11 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.236 -0.915 . . . . 1.0 110.742 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.566 ' CD ' ' H ' ' A' ' 596' ' ' GLU . 14.1 Cg_exo -65.0 141.49 70.69 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.951 1.767 . . . . 1.0 111.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -40.7 124.77 1.96 Allowed 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.513 2.142 . . . . 1.0 112.212 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.65 -34.06 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.928 . . . . 1.0 109.688 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -56.06 -37.17 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 1.0 109.334 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.54 -38.74 91.21 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.295 -0.878 . . . . 1.0 109.216 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 660' ' ' LEU . 29.6 tp -69.55 -43.43 72.97 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.32 -0.862 . . . . 1.0 108.934 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -61.85 -33.75 74.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.463 -0.773 . . . . 1.0 109.457 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.56 73.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.28 73.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 1.0 110.22 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.35 -36.38 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 1.0 109.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.93 76.9 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.91 . . . . 1.0 109.424 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.04 72.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.0 110.049 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.19 -42.36 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.0 109.845 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 654' ' ' VAL . 8.1 m80 -60.34 -40.5 90.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.938 -1.101 . . . . 1.0 109.074 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.85 -45.92 40.45 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 110.142 -1.183 . . . . 1.0 110.142 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.63 -39.47 77.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.333 . . . . 1.0 109.732 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.829 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.9 p -66.14 -45.51 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.074 -1.016 . . . . 1.0 109.117 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' HIS . . . . . 0.571 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 12.2 m80 -53.35 -33.67 54.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 1.0 108.792 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 77.0 mm-40 -62.11 -32.32 72.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.699 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.9 tp -67.36 -43.54 81.2 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.357 -0.979 . . . . 1.0 108.357 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.939 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.8 OUTLIER -69.47 -35.91 76.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.701 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.44 -42.09 72.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.004 . . . . 1.0 109.788 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.604 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -66.47 -44.77 81.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.764 -1.21 . . . . 1.0 108.312 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.221 -1.4 . . . . 1.0 107.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -69.41 -45.58 68.86 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.078 -1.082 . . . . 1.0 108.078 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.0 t -58.03 -46.59 85.09 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.74 85.06 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.774 -0.578 . . . . 1.0 110.192 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 620' ' ' ALA . 74.6 t -62.47 -39.15 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.176 -0.952 . . . . 1.0 109.576 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.5 m -57.59 -36.8 72.21 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.07 . . . . 1.0 109.077 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 50.5 m -60.9 -35.27 76.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.347 -0.982 . . . . 1.0 108.347 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -66.33 129.18 38.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.349 -0.844 . . . . 1.0 109.331 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.15 33.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 1.0 109.816 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 630' ' ' THR . 52.9 t-80 -123.52 144.04 49.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.917 . . . . 1.0 109.726 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.568 HG23 ' NH2' ' A' ' 633' ' ' ARG . 89.6 m -76.66 130.95 38.51 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.355 -0.841 . . . . 1.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 8.2 t -172.29 -129.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.271 -0.893 . . . . 1.0 109.266 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.37 87.84 1.17 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 1.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 633' ' ' ARG . . . . . 0.568 ' NH2' HG23 ' A' ' 630' ' ' THR . 87.9 mtt-85 -59.27 -22.36 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 1.0 109.568 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -40.03 86.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.0 109.656 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.16 -49.21 76.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.236 -0.915 . . . . 1.0 109.137 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -63.6 -41.43 98.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 1.0 108.752 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.35 -49.66 76.98 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.372 -0.83 . . . . 1.0 108.835 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.63 92.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.445 -0.784 . . . . 1.0 109.156 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.8 -47.37 69.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 1.0 109.804 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.5 t -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.369 -0.832 . . . . 1.0 110.155 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -59.87 -46.27 89.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.121 -0.987 . . . . 1.0 110.196 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -72.7 -41.2 65.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.027 -1.046 . . . . 1.0 110.434 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -58.48 -45.62 88.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.0 109.97 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -32.31 72.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.0 110.519 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -32.05 73.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.775 -1.203 . . . . 1.0 108.059 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 617' ' ' LEU . 43.7 mmm -68.57 -38.6 80.84 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.485 -0.931 . . . . 1.0 108.485 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.437 ' OE2' HD23 ' A' ' 617' ' ' LEU . 63.3 mm-40 -59.77 -49.6 77.08 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.88 -41.77 82.25 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.12 -0.632 . . . . 1.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.68 -40.36 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 1.0 109.876 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.939 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.3 m-85 -58.5 -43.17 88.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 1.0 109.831 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -69.93 -36.11 75.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.032 -1.042 . . . . 1.0 109.115 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 30.5 m -57.4 -41.1 79.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.885 . . . . 1.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.73 -36.4 83.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 1.0 109.706 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.515 ' HA ' ' CE1' ' A' ' 610' ' ' HIS . 76.6 t -61.23 -43.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.347 -0.846 . . . . 1.0 109.508 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.807 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.0 t -64.33 -46.23 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.047 -1.033 . . . . 1.0 108.409 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' HIS . . . . . 0.477 ' HB3' HD11 ' A' ' 677' ' ' LEU . 54.0 m-70 -58.73 -38.15 77.75 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.759 -1.201 . . . . 1.0 107.759 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.41 -49.11 12.35 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.378 -1.489 . . . . 1.0 109.378 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -55.92 -28.11 55.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.129 -1.218 . . . . 1.0 109.476 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 655' ' ' VAL . 79.6 t -63.53 -36.43 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 1.0 109.687 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 602' ' ' LEU . 4.0 tt -54.91 -38.09 67.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.0 109.516 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.98 -35.96 69.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.84 . . . . 1.0 109.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 28.7 t -56.49 -31.12 63.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0 109.39 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.08 -26.96 44.03 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.523 -1.431 . . . . 1.0 109.523 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -63.06 141.64 58.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -1.095 . . . . 1.0 109.528 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 78.97 -64.79 3.64 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -132.46 167.09 23.2 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.583 -1.407 . . . . 1.0 109.583 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.15 142.11 72.47 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.024 2.483 . . . . 1.0 112.313 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -142.99 -32.95 0.1 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.626 -1.39 . . . . 1.0 109.626 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -143.26 165.53 27.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -1.102 . . . . 1.0 109.327 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.0 p -132.15 -178.26 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.159 -0.963 . . . . 1.0 110.006 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 66.9 mt -54.69 -24.77 23.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.366 -0.834 . . . . 1.0 109.693 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -65.87 -46.72 77.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.203 -0.936 . . . . 1.0 109.083 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.06 -38.87 73.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.373 -0.829 . . . . 1.0 109.629 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.49 -35.65 74.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 1.0 109.357 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.99 -34.92 73.97 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -71.65 -43.84 65.37 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 656' ' ' HIS . 10.7 mp -70.71 -47.58 59.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.952 -1.092 . . . . 1.0 108.798 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.02 -31.65 37.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.681 -1.229 . . . . 1.0 107.681 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.48 -47.52 48.0 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.518 -0.919 . . . . 1.0 108.518 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.08 -41.59 90.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 1.0 108.923 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.578 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.4 t -56.78 -32.88 66.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 1.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -72.11 -25.32 61.69 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.99 -1.069 . . . . 1.0 109.039 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.825 . . . . 1.0 111.394 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 613' ' ' VAL . 0.1 OUTLIER -62.78 -51.32 72.63 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.776 -1.202 . . . . 1.0 112.296 -177.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.61 ' HG3' HG21 ' A' ' 572' ' ' VAL . 24.3 Cg_exo -60.01 -44.28 30.86 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.98 1.787 . . . . 1.0 112.706 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.32 -40.54 93.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.031 -1.043 . . . . 1.0 108.454 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.38 -35.66 65.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.571 -0.706 . . . . 1.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.52 98.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.002 -1.061 . . . . 1.0 109.312 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -65.76 -41.89 91.54 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.17 -0.956 . . . . 1.0 109.427 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.26 -45.14 85.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.309 -0.869 . . . . 1.0 110.007 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.8 tp -59.32 -33.42 71.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.0 -1.062 . . . . 1.0 109.094 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.3 74.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.097 -1.075 . . . . 1.0 108.097 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 15.2 m -66.0 -41.09 91.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.543 -0.723 . . . . 1.0 109.503 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.07 -37.22 86.65 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.174 -0.954 . . . . 1.0 108.639 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.1 mp -60.01 -35.92 76.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 118.731 -1.187 . . . . 1.0 109.762 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 1.9 t-80 -66.84 -37.66 84.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.974 -1.079 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.7 -16.2 71.85 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 106.404 -2.678 . . . . 1.0 106.404 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.529 ' O ' ' N ' ' A' ' 702' ' ' LEU . 2.3 m120 -111.58 -1.66 15.71 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.747 0.784 . . . . 1.0 110.262 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.33 -22.12 17.83 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.735 0.779 . . . . 1.0 112.302 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 700' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 701' ' ' LEU . 22.8 t -83.63 -42.27 16.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 106.609 -1.626 . . . . 1.0 106.609 -176.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 701' ' ' LEU . 7.3 mp -98.44 -18.6 18.16 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.4 -1.438 . . . . 1.0 109.434 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 703' ' ' PHE . 47.8 tp -66.24 -32.14 73.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 1.0 111.504 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 702' ' ' LEU . 85.1 m-85 -118.69 -66.77 1.04 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.904 -1.123 . . . . 1.0 110.442 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -70.03 80.82 0.49 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.235 -1.024 . . . . 1.0 108.235 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -45.18 -38.22 5.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 1.0 110.066 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 1.7 t -174.9 -27.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -0.862 . . . . 1.0 109.485 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -76.41 132.68 39.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 1.0 109.67 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 118.033 -0.985 . . . . 1.0 109.465 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 546' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 547' ' ' SER . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.411 2.524 . . . . 1.0 119.411 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 546' ' ' GLY . 0.4 OUTLIER 54.27 170.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -1.16 . . . . 1.0 109.464 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -80.75 149.77 30.34 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -94.89 -138.97 0.23 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -1.137 . . . . 1.0 109.56 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 157.68 50.06 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.249 -0.907 . . . . 1.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.65 -92.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.182 1.921 . . . . 1.0 111.918 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.17 134.48 47.33 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.336 -0.852 . . . . 1.0 109.222 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 556' ' ' VAL . 5.9 pt-20 -111.85 168.33 9.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.248 -0.908 . . . . 1.0 109.116 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 554' ' ' LEU . 3.5 mp -56.07 -42.58 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.345 -0.847 . . . . 1.0 110.055 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 1.0 110.068 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.446 ' H ' ' HG3' ' A' ' 553' ' ' GLU . 65.7 t -69.8 -44.41 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.819 -1.175 . . . . 1.0 108.18 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -60.49 -41.24 93.87 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.44 -0.787 . . . . 1.0 109.47 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -39.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 1.0 109.161 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' A' ' 563' ' ' ARG . 3.7 tt0 -72.13 -50.47 27.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.0 110.146 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' CE2' ' A' ' 619' ' ' PHE . 1.6 t -60.86 -42.53 98.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 1.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 560' ' ' THR . 5.0 tp -71.22 -39.68 71.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.856 -1.152 . . . . 1.0 109.113 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.83 93.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.369 -0.832 . . . . 1.0 109.234 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.513 ' NH2' ' OE2' ' A' ' 559' ' ' GLU . 95.8 mtt180 -61.32 -35.44 77.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.26 -0.9 . . . . 1.0 109.119 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.6 mp -71.67 -41.55 68.58 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.442 -0.786 . . . . 1.0 109.474 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.41 -31.52 70.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 1.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.83 -47.17 17.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.045 -1.034 . . . . 1.0 108.433 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.55 -33.4 86.39 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.666 -1.374 . . . . 1.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 564' ' ' LEU . 78.8 t -72.02 -47.88 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.263 . . . . 1.0 108.973 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 82.1 p -66.02 -37.66 86.45 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.14 -0.975 . . . . 1.0 108.489 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -42.32 99.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.687 -0.633 . . . . 1.0 110.14 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 609' ' ' VAL . 16.4 p -67.91 -34.09 75.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.0 110.753 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.777 HG13 ' OG ' ' A' ' 681' ' ' SER . 53.3 t -72.98 -35.54 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.618 -1.301 . . . . 1.0 109.17 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.6 83.64 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.015 -1.106 . . . . 1.0 108.015 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -57.17 -50.61 72.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 1.0 109.288 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 579' ' ' VAL . 56.2 tp -57.52 -48.25 79.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.913 . . . . 1.0 109.339 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.5 -39.08 88.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 1.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.6 -40.7 97.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 1.0 109.511 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.449 HD11 ' OD2' ' A' ' 601' ' ' ASP . 6.4 tp -64.83 -36.25 83.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.321 -0.862 . . . . 1.0 109.545 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 582' ' ' ALA . 72.0 t -60.91 -32.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 1.0 109.554 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 582' ' ' ALA . . . -44.57 125.74 6.3 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 583' ' ' SER . 0.4 OUTLIER 72.6 -22.32 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -1.192 . . . . 1.0 109.591 -179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 580' ' ' GLY . . . 48.72 13.21 0.05 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.193 -0.942 . . . . 1.0 109.425 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 581' ' ' SER . 34.8 t -133.69 146.73 51.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 1.0 109.533 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -139.47 -173.52 13.17 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.599 -1.4 . . . . 1.0 109.599 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.74 140.9 28.95 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.922 2.415 . . . . 1.0 112.287 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -170.37 -127.97 0.98 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 91.81 -53.82 2.98 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -101.91 141.26 35.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -1.142 . . . . 1.0 109.51 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 46.58 32.0 1.53 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 1.0 109.415 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 12.7 t -136.83 20.59 3.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 1.0 109.585 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 71.8 p -72.6 -10.74 60.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 1.0 109.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.3 t -100.07 137.4 38.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.885 . . . . 1.0 109.61 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.89 76.42 70.63 Favored Pre-proline 0 N--CA 1.494 1.775 0 O-C-N 121.164 -0.96 . . . . 1.0 109.787 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.82 -60.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.185 1.923 . . . . 1.0 112.455 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 669' ' ' PHE . 2.8 pt20 -170.04 101.38 0.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.14 -0.975 . . . . 1.0 109.683 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 48.16 79.81 0.33 Allowed Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 1.0 109.924 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.433 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 15.0 Cg_exo -55.35 -43.23 60.49 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.107 1.871 . . . . 1.0 113.558 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 96.3 Cg_endo -84.26 78.21 2.95 Favored 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 121.812 1.674 . . . . 1.0 112.019 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.61 -36.03 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.357 -0.84 . . . . 1.0 110.051 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -58.78 -41.45 86.69 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 1.0 109.452 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.449 ' OD2' HD11 ' A' ' 578' ' ' LEU . 54.2 t0 -63.15 -47.27 83.4 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.271 -0.893 . . . . 1.0 109.415 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -43.68 59.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.363 -0.836 . . . . 1.0 109.25 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -59.25 -34.2 71.94 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 1.0 109.533 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.95 70.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 1.0 110.098 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.88 -47.52 65.67 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.141 -0.974 . . . . 1.0 110.308 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 2.5 m -70.12 -35.87 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.819 -1.176 . . . . 1.0 109.32 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -66.61 -39.91 88.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 1.0 109.048 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.57 29.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 1.0 110.412 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 571' ' ' THR . 2.4 p -62.43 -41.6 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.989 -1.07 . . . . 1.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.533 ' O ' HG12 ' A' ' 613' ' ' VAL . 61.2 t60 -67.39 -31.94 72.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 1.0 109.971 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.7 -45.32 45.17 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.937 -1.265 . . . . 1.0 109.937 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.38 -39.12 74.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.337 . . . . 1.0 109.52 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.821 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.3 p -63.47 -44.09 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 1.0 108.998 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 614' ' ' HIS . . . . . 0.57 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 1.8 t-80 -52.79 -29.62 28.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.211 -0.93 . . . . 1.0 108.569 177.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 59.3 mm-40 -64.12 -28.12 69.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 1.0 109.091 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.4 -38.78 88.27 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.594 -1.261 . . . . 1.0 107.594 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 650' ' ' TYR . 66.8 mt -59.66 -46.9 87.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.948 -1.13 . . . . 1.0 107.948 178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.44 -45.71 58.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 1.0 109.441 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.99 -46.74 83.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.203 -0.936 . . . . 1.0 108.632 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.71 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.3 -39.9 94.5 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.574 -0.704 . . . . 1.0 109.747 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.8 p -57.5 -41.17 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 1.0 108.894 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 702' ' ' LEU . . . -63.26 -43.85 96.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 1.0 109.675 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.439 HG21 HD22 ' A' ' 643' ' ' LEU . 91.2 t -65.71 -41.55 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.933 . . . . 1.0 109.683 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.4 p -60.94 -29.8 69.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 1.0 109.594 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 75.2 m -84.18 1.96 41.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 1.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 629' ' ' HIS . . . -71.71 -7.52 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.917 . . . . 1.0 109.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 627' ' ' ALA . 1.0 OUTLIER 49.3 -88.68 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 1.0 109.58 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.566 ' N ' ' O ' ' A' ' 627' ' ' ALA . 78.1 m80 -86.26 139.27 31.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 1.0 109.49 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 632' ' ' ASP . 30.8 p -105.25 166.2 10.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.0 109.462 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.65 0.61 0.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.198 -0.939 . . . . 1.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 630' ' ' THR . 22.3 t70 -55.74 -36.88 67.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 1.0 109.436 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.78 154.54 51.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.243 -0.91 . . . . 1.0 109.454 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 38.9 m -60.08 -37.53 80.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.729 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.43 -40.51 78.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.907 . . . . 1.0 109.423 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -63.52 -44.95 92.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.076 -1.015 . . . . 1.0 108.57 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.06 78.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.416 -0.803 . . . . 1.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -38.25 79.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.377 -0.827 . . . . 1.0 109.601 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.12 -47.16 86.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 1.0 109.398 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.3 p -60.63 -41.88 95.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.0 109.382 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -64.22 -45.3 88.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 1.0 110.08 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.621 ' CD ' ' HZ1' ' A' ' 645' ' ' LYS . 99.5 mm-40 -73.59 -28.8 62.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.128 -0.982 . . . . 1.0 109.993 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.439 HD22 HG21 ' A' ' 624' ' ' VAL . 7.7 tp -67.21 -50.68 59.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.862 . . . . 1.0 110.079 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -62.46 -39.0 91.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.0 109.6 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 649' ' ' VAL . 7.2 ttpm? -64.9 -31.99 73.48 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.778 -1.193 . . . . 1.0 107.778 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 6.1 tpt -68.43 -36.69 79.42 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.528 ' OE1' HD13 ' A' ' 617' ' ' LEU . 42.8 mm-40 -67.42 -50.79 57.9 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.604 0.716 . . . . 1.0 109.126 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -58.44 -41.17 84.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 645' ' ' LYS . 90.0 t -63.0 -36.54 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.796 . . . . 1.0 110.18 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.821 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.4 m-30 -62.46 -35.97 80.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.07 -1.019 . . . . 1.0 109.996 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.68 -35.17 78.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.94 -1.1 . . . . 1.0 109.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 57.7 m -59.69 -38.84 82.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -0.949 . . . . 1.0 109.395 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.509 HD22 ' SG ' ' A' ' 680' ' ' CYS . 26.2 mt -67.54 -37.59 82.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.89 . . . . 1.0 109.684 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.26 -43.54 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.122 -0.986 . . . . 1.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.7 t -63.35 -46.94 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.107 -0.996 . . . . 1.0 108.442 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -58.11 -40.17 80.53 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.84 -41.01 43.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -54.94 -21.02 10.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.236 . . . . 1.0 109.603 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 655' ' ' VAL . 91.4 t -62.62 -35.9 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.151 -0.968 . . . . 1.0 109.743 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 660' ' ' LEU . 3.8 mp -55.26 -33.32 63.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 1.0 109.308 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 662' ' ' SER . 60.6 t0 -84.88 -122.81 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 1.0 109.565 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 661' ' ' ASP . 6.8 t 58.03 158.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -0.913 . . . . 1.0 109.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -88.4 -174.06 47.32 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -71.04 141.6 50.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.162 -1.199 . . . . 1.0 109.504 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -164.27 -179.95 38.75 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -46.99 -72.12 0.45 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.18 150.18 80.96 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.009 2.473 . . . . 1.0 112.329 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -145.46 -173.28 16.58 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.777 -1.329 . . . . 1.0 109.777 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.531 ' N ' ' OE1' ' A' ' 595' ' ' GLN . 0.5 OUTLIER -95.75 134.38 38.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.184 -1.186 . . . . 1.0 109.531 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 8.4 p -135.17 167.46 20.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 1.0 109.675 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.39 -23.98 17.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 1.0 109.651 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -70.26 -45.1 67.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.179 -0.95 . . . . 1.0 109.186 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.53 -37.39 75.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.287 -0.883 . . . . 1.0 109.455 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 678' ' ' VAL . 7.7 tp -66.02 -35.68 81.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 1.0 109.449 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -57.93 -34.82 70.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.44 -1.319 . . . . 1.0 107.44 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -73.51 -39.72 64.6 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.76 -0.587 . . . . 1.0 109.6 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.2 tt -71.07 -49.56 43.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.946 -1.096 . . . . 1.0 108.936 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' A' ' 674' ' ' LEU . 56.0 t -56.24 -31.06 31.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 107.837 -1.171 . . . . 1.0 107.837 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.43 76.79 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 681' ' ' SER . 0.1 OUTLIER -66.51 -39.92 88.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 1.0 109.373 179.591 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.777 ' OG ' HG13 ' A' ' 572' ' ' VAL . 4.4 t -56.03 -33.44 64.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.268 -0.895 . . . . 1.0 110.437 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -75.86 -29.42 58.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.758 -1.214 . . . . 1.0 109.878 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.02 -46.42 62.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 1.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.429 HG23 HD11 ' A' ' 653' ' ' LEU . 0.9 OUTLIER -59.04 -49.75 91.56 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 121.031 -1.043 . . . . 1.0 112.197 -176.006 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.636 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.4 Cg_exo -65.14 -41.89 15.34 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.907 1.738 . . . . 1.0 112.887 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -67.24 -42.46 83.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.959 -1.088 . . . . 1.0 108.589 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 687' ' ' ASP . . . . . 0.637 ' OD1' HD23 ' A' ' 691' ' ' LEU . 58.1 t0 -74.58 -35.27 63.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 1.0 109.252 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.63 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 1.0 108.815 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -67.41 -40.73 85.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.462 -0.774 . . . . 1.0 109.522 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.85 -44.85 88.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 1.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 687' ' ' ASP . 2.1 mm? -59.41 -32.44 70.18 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.232 -0.917 . . . . 1.0 108.715 178.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 692' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -63.66 -32.62 74.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.0 108.776 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.3 m -66.12 -37.99 87.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.339 -0.851 . . . . 1.0 109.211 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.497 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -63.62 -40.65 97.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 109.002 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -62.1 -37.73 86.2 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.211 -0.931 . . . . 1.0 108.921 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 38.1 m80 -68.61 -44.77 73.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.432 -0.793 . . . . 1.0 110.365 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.64 -28.03 44.43 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 1.2 p30 -126.46 11.8 7.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.067 -1.255 . . . . 1.0 109.992 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.75 -32.46 63.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.072 -1.018 . . . . 1.0 109.243 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.0 p -52.56 -35.39 53.69 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.277 -0.89 . . . . 1.0 109.241 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 4.4 mp -88.39 -40.22 13.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.231 -0.918 . . . . 1.0 110.055 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 623' ' ' ALA . 54.1 mt -56.5 -33.53 66.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.968 -1.082 . . . . 1.0 108.367 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.9 m-85 -125.15 -71.83 0.69 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.399 -0.813 . . . . 1.0 109.48 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 30.2 ttm-85 77.49 108.7 0.08 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.941 . . . . 1.0 109.348 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -72.57 145.29 47.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 1.0 109.611 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 48.7 p -69.13 142.83 54.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 1.0 109.542 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 708' ' ' ALA . 67.3 mttm -61.57 -36.09 79.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.24 -0.913 . . . . 1.0 109.439 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 708' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 707' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.056 -0.973 . . . . 1.0 109.462 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.908 0 N-CA-C 119.411 2.525 . . . . 1.0 119.411 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.69 -57.47 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.211 -1.17 . . . . 1.0 109.493 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -77.25 157.36 46.4 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.591 -1.403 . . . . 1.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -98.66 142.31 30.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -1.128 . . . . 1.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 79.0 0.36 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 1.0 110.064 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.19 -152.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.549 2.166 . . . . 1.0 112.03 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 51.6 mt -95.2 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.055 -1.028 . . . . 1.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -100.06 151.94 20.79 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.808 HD13 ' C ' ' A' ' 554' ' ' LEU . 2.9 tm? -54.85 -42.95 72.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.746 . . . . 1.0 109.961 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.41 -35.24 73.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 1.0 110.288 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.522 ' O ' ' OG1' ' A' ' 560' ' ' THR . 80.4 t -76.02 -39.0 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.667 -1.271 . . . . 1.0 107.815 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.87 79.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.956 -0.757 . . . . 1.0 108.956 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 24.9 m -71.09 -36.62 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 1.0 108.828 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.59 -51.86 17.92 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 1.0 109.984 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.11 -44.74 83.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.922 -1.111 . . . . 1.0 110.067 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.581 ' O ' ' NE2' ' A' ' 565' ' ' GLN . 1.0 OUTLIER -59.74 -40.47 88.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.021 -1.049 . . . . 1.0 109.406 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.81 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.29 -0.881 . . . . 1.0 109.855 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -35.95 81.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 1.0 109.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 568' ' ' VAL . 8.4 mp -69.23 -41.14 77.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.0 110.052 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' A' ' 561' ' ' LEU . 1.6 mp0 -61.39 -33.21 73.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 1.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -78.17 -46.15 21.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.173 -0.954 . . . . 1.0 108.648 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 571' ' ' THR . . . -65.0 -32.99 86.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.67 -1.372 . . . . 1.0 109.67 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.3 t -69.33 -49.29 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.043 -1.269 . . . . 1.0 108.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 30.0 m -67.15 -38.41 85.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.185 -0.947 . . . . 1.0 108.866 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 84.2 m -63.36 -43.77 96.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.461 -0.774 . . . . 1.0 109.739 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.4 p -67.47 -32.68 73.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 1.0 109.886 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.5 t -66.07 -37.7 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.252 -0.905 . . . . 1.0 109.566 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.68 82.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.092 -1.005 . . . . 1.0 108.671 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -62.51 -45.18 94.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.712 -0.618 . . . . 1.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 579' ' ' VAL . 6.0 tp -54.84 -44.54 74.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.337 -0.852 . . . . 1.0 109.561 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -41.42 65.73 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.378 -0.826 . . . . 1.0 109.196 178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -59.33 -41.52 89.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 1.0 109.215 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 1.0 109.412 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 575' ' ' LEU . 59.1 t -58.12 -38.13 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.932 . . . . 1.0 109.53 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.61 -36.07 38.89 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.616 -1.394 . . . . 1.0 109.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 21.1 t -60.97 -30.93 70.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -1.173 . . . . 1.0 109.549 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -55.7 144.48 26.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.189 -0.945 . . . . 1.0 109.501 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 48.9 m -132.41 155.37 48.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 1.0 109.488 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -57.66 164.67 7.01 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.27 -34.45 44.86 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.812 2.341 . . . . 1.0 112.188 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 152.28 -133.99 4.35 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.487 -1.445 . . . . 1.0 109.487 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -165.78 -95.86 0.1 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -90.75 154.87 19.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -1.13 . . . . 1.0 109.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 51.67 43.14 30.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.0 109.445 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 32.3 t -142.68 142.52 32.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.252 -0.905 . . . . 1.0 109.436 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 26.6 p -126.48 167.81 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 1.0 109.459 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.7 t -58.0 135.11 56.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.236 -0.915 . . . . 1.0 109.484 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 154.86 44.78 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.223 -0.923 . . . . 1.0 109.242 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -42.48 155.15 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.491 2.127 . . . . 1.0 112.019 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.35 132.67 53.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 1.0 109.645 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.437 ' N ' ' HD2' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -54.72 -53.84 56.02 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 1.0 110.717 -179.486 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 596' ' ' GLU . 59.1 Cg_endo -75.41 123.89 7.98 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.424 2.082 . . . . 1.0 112.066 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.43 136.43 6.05 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.04 1.827 . . . . 1.0 112.126 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.78 -36.6 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 1.0 109.643 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -56.51 -43.38 79.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.92 . . . . 1.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.81 -42.51 99.75 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.376 -0.827 . . . . 1.0 109.148 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 602' ' ' LEU . 31.6 tp -70.25 -42.27 72.4 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.401 -0.812 . . . . 1.0 109.045 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.84 -35.39 78.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.338 -0.851 . . . . 1.0 109.831 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.95 75.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 110.019 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.61 87.25 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.902 . . . . 1.0 110.168 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 607' ' ' ALA . 5.3 p -68.97 -38.25 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.106 -0.996 . . . . 1.0 109.632 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -58.49 -35.39 72.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.253 -0.904 . . . . 1.0 109.555 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.08 84.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.937 . . . . 1.0 109.691 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 86.6 t -63.02 -44.23 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.071 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.697 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 19.9 m80 -63.43 -37.04 85.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.353 -0.842 . . . . 1.0 109.963 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.98 98.63 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.2 84.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.843 -1.387 . . . . 1.0 109.42 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' A' ' 650' ' ' TYR . 68.8 t -65.59 -46.2 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 1.0 109.382 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -53.72 -36.24 62.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.344 -0.848 . . . . 1.0 109.205 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.39 -35.5 77.67 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.59 HD22 ' HB1' ' A' ' 688' ' ' ALA . 55.0 tp -67.52 -41.04 85.02 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.48 -1.304 . . . . 1.0 107.48 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.47 98.4 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.923 -1.14 . . . . 1.0 107.923 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.73 -45.7 57.38 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.344 -0.848 . . . . 1.0 109.714 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.49 -48.0 79.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.161 -0.962 . . . . 1.0 108.864 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.41 91.87 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.236 -0.915 . . . . 1.0 108.628 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -42.45 89.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.533 -0.73 . . . . 1.0 109.706 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.7 p -58.18 -37.37 74.61 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.191 -0.943 . . . . 1.0 108.507 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.91 77.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 1.0 109.531 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 625' ' ' SER . 54.8 t -54.86 -48.26 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.274 -0.891 . . . . 1.0 109.68 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 624' ' ' VAL . 3.0 m 31.46 69.38 0.1 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.133 -0.979 . . . . 1.0 109.265 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 627' ' ' ALA . 0.8 OUTLIER 72.69 -66.14 0.32 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.324 -0.86 . . . . 1.0 109.416 -178.643 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 626' ' ' SER . . . 67.14 -8.97 0.41 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.249 -0.907 . . . . 1.0 109.539 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 626' ' ' SER . 6.6 t -139.59 148.69 42.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 1.0 109.518 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.626 ' CG ' ' H ' ' A' ' 630' ' ' THR . 20.5 t-80 -171.83 -127.82 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 1.0 109.411 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' THR . . . . . 0.626 ' H ' ' CG ' ' A' ' 629' ' ' HIS . 74.0 m -61.75 -38.15 86.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.26 -0.9 . . . . 1.0 109.536 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 83.9 p -144.47 161.4 39.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 1.0 109.603 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 632' ' ' ASP . 45.4 p30 -144.54 171.91 13.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 1.0 109.499 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' ARG . . . . . 0.464 ' HD3' HD11 ' A' ' 701' ' ' LEU . 57.9 mtp85 -122.51 163.37 20.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 1.0 109.483 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 49.2 m -60.2 -31.01 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 1.0 109.519 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.81 -45.3 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.0 109.496 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' HIS . . . . . 0.529 ' CD2' ' HB1' ' A' ' 627' ' ' ALA . 6.8 t-80 -62.94 -42.4 99.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.01 77.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.719 -0.845 . . . . 1.0 108.719 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -44.9 90.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.377 -0.827 . . . . 1.0 109.311 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 698' ' ' ASN . 2.5 tt -60.18 -46.61 89.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.0 109.623 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -57.48 -39.63 76.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 1.0 109.477 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -59.95 -45.6 92.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.838 . . . . 1.0 110.346 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.678 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 81.2 mt-30 -74.87 -31.31 61.57 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.877 -1.139 . . . . 1.0 110.416 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.31 -51.16 47.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.006 -1.059 . . . . 1.0 110.054 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -63.67 -36.0 82.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.011 -1.055 . . . . 1.0 109.008 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -64.06 -36.32 83.63 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.896 -1.15 . . . . 1.0 107.896 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 33.8 tpp -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.174 -1.046 . . . . 1.0 108.174 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.16 -52.03 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.57 0.7 . . . . 1.0 109.154 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' ASP . . . . . 0.733 ' O ' HG23 ' A' ' 652' ' ' THR . 13.3 t0 -65.65 -42.87 90.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.506 -0.746 . . . . 1.0 109.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 652' ' ' THR . 13.0 t -64.05 -45.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.378 -0.826 . . . . 1.0 109.965 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.718 ' CE1' HG11 ' A' ' 613' ' ' VAL . 22.3 t80 -70.31 -37.3 74.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.078 -1.014 . . . . 1.0 110.132 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -68.91 -32.62 72.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.832 -1.168 . . . . 1.0 109.403 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 648' ' ' ASP . 24.6 p -65.28 -34.82 79.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.06 -1.025 . . . . 1.0 108.793 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.729 HD21 ' CB ' ' A' ' 680' ' ' CYS . 6.0 mt -69.11 -36.69 77.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.511 -0.743 . . . . 1.0 109.362 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.63 -44.3 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.976 . . . . 1.0 109.27 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.4 t -68.54 -46.14 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -34.77 78.34 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 107.858 -1.164 . . . . 1.0 107.858 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.66 -49.4 18.61 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -56.86 -27.6 60.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.139 -1.212 . . . . 1.0 109.519 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' VAL . 76.4 t -64.93 -39.84 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.948 . . . . 1.0 109.688 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -50.61 -23.5 2.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 1.0 109.393 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -84.27 115.98 22.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.437 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 t 46.33 84.49 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.883 . . . . 1.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 668' ' ' GLY . . . -87.51 4.08 86.12 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.68 -1.368 . . . . 1.0 109.68 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -57.59 -26.7 61.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -1.092 . . . . 1.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -47.5 -33.51 8.59 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.509 -1.436 . . . . 1.0 109.509 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . 168.63 -52.37 0.22 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 32.2 Cg_exo -56.83 -29.55 81.71 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.949 2.432 . . . . 1.0 112.333 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 669' ' ' PHE . . . 67.81 -64.24 0.32 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 669' ' ' PHE . 0.0 OUTLIER 59.15 119.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -1.142 . . . . 1.0 109.456 -179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.9 p -141.04 -158.88 0.9 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 1.0 109.464 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 674' ' ' LEU . 73.4 mt -56.28 -29.86 61.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.258 -0.901 . . . . 1.0 109.273 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 20.2 p-10 -66.6 -47.05 73.93 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.377 -0.827 . . . . 1.0 109.056 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.553 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 1.6 m-20 -58.3 -31.62 67.68 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.463 -0.773 . . . . 1.0 109.46 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 671' ' ' LEU . 88.5 mt -63.47 -38.0 89.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.319 -0.863 . . . . 1.0 109.238 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -62.91 -35.35 79.78 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.157 -1.423 . . . . 1.0 107.157 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -72.59 -39.88 67.01 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.12 -45.8 66.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.0 108.323 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.36 -31.63 38.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.79 -1.189 . . . . 1.0 107.79 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.21 63.61 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.885 -0.784 . . . . 1.0 108.885 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.729 ' CB ' HD21 ' A' ' 653' ' ' LEU . 82.9 m -64.69 -37.24 86.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.856 . . . . 1.0 109.516 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.628 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 18.2 t -57.3 -35.78 70.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.359 -0.838 . . . . 1.0 111.464 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.413 HH11 ' HB2' ' A' ' 682' ' ' ARG . 18.7 mtp-105 -76.81 -26.9 54.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.354 -1.466 . . . . 1.0 110.464 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.42 54.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.075 -1.016 . . . . 1.0 111.651 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.3 OUTLIER -62.15 -44.11 88.01 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 120.415 -1.428 . . . . 1.0 112.508 -177.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.628 ' CD ' ' O ' ' A' ' 681' ' ' SER . 27.9 Cg_endo -62.46 -42.29 28.18 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.236 1.291 . . . . 1.0 112.1 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -38.23 84.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.319 -0.863 . . . . 1.0 109.146 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.93 -31.97 63.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.1 -41.5 92.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.201 -0.937 . . . . 1.0 108.809 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.25 95.81 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.445 -0.785 . . . . 1.0 109.963 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -72.56 -42.79 64.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.0 109.922 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.33 -35.61 74.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 1.0 108.434 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.07 79.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.381 -0.824 . . . . 1.0 108.874 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.1 m -65.93 -39.03 90.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.172 -0.955 . . . . 1.0 109.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.678 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.9 -38.01 87.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.0 108.812 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.9 mp -60.65 -37.08 80.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.189 -1.041 . . . . 1.0 108.189 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -48.71 70.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.559 -0.713 . . . . 1.0 110.145 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.13 57.92 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.49 7.6 13.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.944 -1.327 . . . . 1.0 109.602 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.5 -30.22 29.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.144 -0.972 . . . . 1.0 109.364 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 83.3 p -58.35 -39.41 79.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.0 109.582 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' LEU . . . . . 0.464 HD11 ' HD3' ' A' ' 633' ' ' ARG . 96.8 mt -88.62 -43.58 11.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.938 . . . . 1.0 110.313 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.08 -33.91 58.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.002 -1.061 . . . . 1.0 108.434 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.38 -101.71 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 1.0 109.414 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -171.43 106.27 0.23 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.451 -0.781 . . . . 1.0 110.124 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -57.36 -40.36 77.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 1.0 109.523 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 6.7 t -142.9 155.86 44.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 1.0 109.645 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -97.7 148.76 23.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 1.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.993 -1.003 . . . . 1.0 109.379 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.87 0 N-CA-C 119.412 2.525 . . . . 1.0 119.412 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 22.0 m -57.64 -36.13 71.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.237 -1.155 . . . . 1.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -70.56 142.21 34.91 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 549' ' ' ARG . 2.0 mpt_? -64.12 146.68 53.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 1.0 109.459 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.58 153.19 81.18 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.342 -0.849 . . . . 1.0 109.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.98 147.03 1.43 Allowed 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.322 2.014 . . . . 1.0 111.789 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 0.9 OUTLIER -87.02 -22.54 25.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.179 -0.951 . . . . 1.0 109.5 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 13.3 tp10 87.19 103.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.75 -34.9 70.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.525 -0.734 . . . . 1.0 110.423 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.57 -40.4 92.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 1.0 110.448 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 560' ' ' THR . 90.2 t -73.37 -41.77 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.475 -1.391 . . . . 1.0 107.777 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.73 91.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.371 -0.831 . . . . 1.0 109.497 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -33.78 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.29 -0.881 . . . . 1.0 110.442 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.73 -50.99 15.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.82 -1.175 . . . . 1.0 110.063 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.46 HG23 ' NH2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -63.16 -41.76 99.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.428 -0.795 . . . . 1.0 109.669 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.56 -40.35 94.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.216 -0.928 . . . . 1.0 109.476 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.11 -34.29 68.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.505 -0.747 . . . . 1.0 109.917 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.46 ' NH2' HG23 ' A' ' 560' ' ' THR . 50.3 mtm180 -64.58 -39.31 93.5 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.121 -0.987 . . . . 1.0 108.61 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.0 mp -61.75 -44.02 97.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.68 -0.638 . . . . 1.0 110.067 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -61.2 -35.37 76.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.315 -0.865 . . . . 1.0 109.746 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.65 -49.39 13.28 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.202 -0.937 . . . . 1.0 108.653 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.87 -33.36 85.13 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 564' ' ' LEU . 85.2 t -72.78 -49.56 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.987 -1.302 . . . . 1.0 108.733 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.1 p -66.76 -38.48 86.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -0.969 . . . . 1.0 109.059 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 89.0 m -62.01 -41.22 97.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.423 -0.798 . . . . 1.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 61.6 p -66.81 -33.12 74.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.134 -0.979 . . . . 1.0 109.688 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.657 HG13 ' OG ' ' A' ' 681' ' ' SER . 76.9 t -67.69 -38.04 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.0 109.22 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.87 90.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 1.0 109.245 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -58.51 -50.75 72.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.232 -0.918 . . . . 1.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.2 tt -55.87 -48.07 76.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.256 -0.903 . . . . 1.0 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.96 -38.97 72.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 1.0 109.397 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.48 -39.1 89.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 1.0 109.093 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.4 -37.99 74.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.806 . . . . 1.0 109.555 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 575' ' ' LEU . 78.3 t -62.94 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.0 109.506 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -63.72 -44.97 95.55 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 24.7 m -60.89 -34.07 74.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -1.188 . . . . 1.0 109.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -56.43 143.35 35.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 1.0 109.5 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 24.5 t -143.24 149.86 38.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 1.0 109.489 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -55.88 163.14 5.33 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.588 -1.405 . . . . 1.0 109.588 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -59.77 149.31 83.94 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.749 2.299 . . . . 1.0 112.195 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -131.74 -49.9 0.1 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.572 -1.411 . . . . 1.0 109.572 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -56.74 -41.36 90.36 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.541 -1.424 . . . . 1.0 109.541 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -120.11 146.65 45.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -1.153 . . . . 1.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 20.0 mtp-105 -126.48 151.0 48.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 1.0 109.435 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 17.0 m 48.65 52.24 14.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 1.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 592' ' ' SER . 0.2 OUTLIER -138.05 28.77 2.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.32 -0.862 . . . . 1.0 109.504 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 591' ' ' THR . 1.4 t 50.26 -177.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 1.0 109.453 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -135.14 156.99 77.78 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.939 . . . . 1.0 109.217 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.69 159.7 51.85 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.756 2.304 . . . . 1.0 112.237 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.68 51.23 1.53 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 1.0 109.524 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' A' ' 597' ' ' PRO . 8.1 mm-40 -148.19 -64.9 0.02 OUTLIER Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.137 -0.977 . . . . 1.0 110.817 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 596' ' ' GLU . 4.7 Cg_exo -44.14 -49.4 8.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.01 1.807 . . . . 1.0 114.286 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.87 -18.85 14.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.868 1.712 . . . . 1.0 112.446 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.52 -44.71 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 1.0 109.607 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.77 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.099 -1.001 . . . . 1.0 108.869 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.48 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.368 -0.833 . . . . 1.0 109.178 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 674' ' ' LEU . 1.1 tp -74.38 -42.77 58.74 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.338 -0.851 . . . . 1.0 108.923 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.534 -0.729 . . . . 1.0 109.342 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.25 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 1.0 110.142 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.43 56.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.158 -0.964 . . . . 1.0 110.146 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 610' ' ' HIS . 10.7 p -68.34 -36.7 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.987 -1.071 . . . . 1.0 109.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -63.6 -35.58 80.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.0 109.669 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.4 -50.76 66.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 1.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.99 -43.13 97.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.538 -0.726 . . . . 1.0 109.321 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.68 ' CD2' HG22 ' A' ' 606' ' ' VAL . 13.2 m-70 -63.5 -40.81 98.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 1.0 109.762 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.99 -41.43 99.42 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 110.053 -1.219 . . . . 1.0 110.053 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.93 73.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.858 -1.378 . . . . 1.0 109.669 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.941 HG11 ' CD1' ' A' ' 650' ' ' TYR . 77.0 t -63.95 -46.7 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.0 109.081 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -36.22 50.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.85 . . . . 1.0 108.948 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.55 74.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.234 -0.916 . . . . 1.0 108.986 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -71.03 -44.12 66.48 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.84 -1.17 . . . . 1.0 107.84 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -42.73 95.71 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.921 -1.14 . . . . 1.0 107.921 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.98 -45.14 62.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.0 110.186 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.75 -47.55 83.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.966 -1.084 . . . . 1.0 108.911 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.09 92.93 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.15 -45.92 92.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.546 -0.721 . . . . 1.0 109.92 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.1 t -59.12 -38.94 80.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.177 -0.952 . . . . 1.0 108.938 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.98 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.0 109.872 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 643' ' ' LEU . 98.3 t -64.13 -42.62 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 1.0 109.462 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 24.6 t -60.08 -34.34 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.329 -0.857 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 74.6 m -85.54 6.74 25.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.117 -0.989 . . . . 1.0 109.652 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -80.24 118.86 22.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 109.576 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 34.1 m -141.82 127.68 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.18 -0.95 . . . . 1.0 109.242 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -166.37 136.56 3.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 1.0 109.434 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 65.1 p -74.4 -17.43 60.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 1.0 109.484 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 24.4 t -108.22 143.07 37.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.906 . . . . 1.0 109.504 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.53 122.17 31.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.902 . . . . 1.0 109.534 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -100.92 153.38 19.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 1.0 109.386 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 27.3 m -60.81 -38.67 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 1.0 109.611 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 697' ' ' GLY . 67.6 mt -59.13 -46.55 88.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.0 109.43 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.0 -46.03 90.82 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.226 -1.027 . . . . 1.0 108.226 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.621 -0.881 . . . . 1.0 108.621 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.65 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.573 -0.705 . . . . 1.0 109.83 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.93 -47.27 85.65 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.273 -0.892 . . . . 1.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 82.8 p -59.16 -47.35 85.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0 109.506 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -64.07 -43.3 95.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.592 -0.693 . . . . 1.0 109.702 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -30.06 67.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 1.0 110.113 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 624' ' ' VAL . 29.1 tp -66.62 -50.53 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 1.0 110.186 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.81 -37.78 88.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.139 -0.976 . . . . 1.0 108.963 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -63.69 -34.05 77.01 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.026 -1.102 . . . . 1.0 108.026 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 646' ' ' MET . 0.0 OUTLIER -68.1 -37.88 81.69 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.652 -0.87 . . . . 1.0 108.652 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.44 -51.59 65.05 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.696 0.76 . . . . 1.0 109.072 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.17 -43.39 87.02 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.74 -0.6 . . . . 1.0 109.502 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.11 -45.01 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 1.0 110.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.941 ' CD1' HG11 ' A' ' 613' ' ' VAL . 29.9 t80 -69.82 -34.46 73.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.03 -1.044 . . . . 1.0 109.777 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -72.89 -40.1 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.015 -1.053 . . . . 1.0 109.817 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 85.1 m -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.012 . . . . 1.0 109.885 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 49.5 mt -71.77 -34.38 69.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.038 . . . . 1.0 110.087 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.9 t -60.72 -43.59 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 1.0 109.251 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 659' ' ' VAL . 79.3 t -67.36 -44.28 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.913 -1.117 . . . . 1.0 108.609 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.75 -40.16 87.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 107.145 -1.428 . . . . 1.0 107.145 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.55 16.0 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.646 -1.382 . . . . 1.0 109.646 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -59.35 -28.25 66.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.136 -1.214 . . . . 1.0 110.415 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 655' ' ' VAL . 54.1 t -63.85 -37.8 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 1.0 109.885 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.68 -30.16 20.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.0 109.648 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 662' ' ' SER . 54.9 t0 -82.99 120.03 25.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.282 -0.886 . . . . 1.0 109.674 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 661' ' ' ASP . 3.8 m 47.63 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.209 -0.932 . . . . 1.0 109.473 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 664' ' ' ARG . . . -54.64 -36.99 60.02 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 663' ' ' GLY . 55.8 ttt85 45.35 76.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -1.131 . . . . 1.0 109.413 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.82 10.82 64.44 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.431 -1.468 . . . . 1.0 109.431 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -130.33 78.35 0.38 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.65 -1.38 . . . . 1.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -50.98 151.87 11.01 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.943 2.429 . . . . 1.0 112.356 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 99.71 -110.23 3.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.776 -1.33 . . . . 1.0 109.776 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 669' ' ' PHE . 1.2 t80 50.12 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -1.19 . . . . 1.0 109.42 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p -153.0 -128.11 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.958 . . . . 1.0 109.479 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 671' ' ' LEU . 4.0 mm? -62.68 -28.29 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 1.0 109.445 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -67.84 -45.53 74.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.286 -0.884 . . . . 1.0 109.411 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.504 ' OD2' ' NH2' ' A' ' 676' ' ' ARG . 5.4 t0 -56.93 -36.77 70.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.241 -0.912 . . . . 1.0 109.543 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 602' ' ' LEU . 6.3 mt -62.73 -41.27 99.09 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 1.0 109.692 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -57.7 -36.7 72.34 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.788 -1.189 . . . . 1.0 107.788 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' ARG . . . . . 0.504 ' NH2' ' OD2' ' A' ' 673' ' ' ASP . 24.2 ttp-105 -72.71 -39.89 66.61 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.371 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.9 tt -70.79 -49.35 47.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.071 -1.018 . . . . 1.0 108.836 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.82 -31.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' ALA . . . . . 0.461 ' O ' ' NH1' ' A' ' 682' ' ' ARG . . . -69.01 -39.43 79.31 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.549 -0.719 . . . . 1.0 109.149 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -43.95 71.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.657 ' OG ' HG13 ' A' ' 572' ' ' VAL . 7.4 t -57.88 -33.07 68.32 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.094 -1.004 . . . . 1.0 111.03 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 679' ' ' ALA . 14.4 ptt-85 -77.59 -30.63 52.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.445 -1.409 . . . . 1.0 109.594 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -67.54 -46.99 71.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.125 -0.984 . . . . 1.0 110.719 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -55.58 -54.01 56.11 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.055 -1.028 . . . . 1.0 112.315 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.0 Cg_endo -61.98 -42.92 27.49 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.016 1.81 . . . . 1.0 112.758 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -68.33 -44.02 76.25 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.125 -0.984 . . . . 1.0 108.465 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.78 -33.92 68.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -0.808 . . . . 1.0 109.051 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -59.21 -40.22 85.12 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.13 -0.981 . . . . 1.0 108.469 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -68.17 -44.99 74.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.556 -0.715 . . . . 1.0 109.396 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.12 -46.21 71.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.345 -0.847 . . . . 1.0 109.423 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -32.35 68.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.174 -0.954 . . . . 1.0 108.445 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.28 -31.93 73.32 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.373 -0.829 . . . . 1.0 109.19 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.8 t -66.22 -37.15 84.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.337 -0.852 . . . . 1.0 110.318 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.417 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.1 m-85 -63.73 -40.64 97.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.841 -1.162 . . . . 1.0 108.906 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 702' ' ' LEU . 4.3 mm? -62.24 -37.8 86.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.319 -0.863 . . . . 1.0 109.143 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 34.8 m170 -71.65 -44.12 64.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.248 -0.908 . . . . 1.0 110.874 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 697' ' ' GLY . . . . . 0.52 ' C ' HD13 ' A' ' 635' ' ' LEU . . . -54.74 -27.76 44.36 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 695' ' ' LEU . 2.3 p30 -116.55 10.96 14.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -1.115 . . . . 1.0 109.788 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.45 -31.44 61.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.981 . . . . 1.0 109.825 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 700' ' ' SER . . . . . 0.403 ' O ' ' CA ' ' A' ' 704' ' ' ARG . 83.5 p -58.5 -39.36 79.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.063 -1.023 . . . . 1.0 108.728 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 97.8 mt -87.97 -46.34 9.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 1.0 110.429 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 695' ' ' LEU . 71.1 mt -55.6 -32.89 63.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.821 -1.174 . . . . 1.0 108.9 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.558 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 10.0 m-85 -125.67 -66.68 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.128 -0.982 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER 79.34 110.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.3 -0.875 . . . . 1.0 109.525 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -71.83 135.05 46.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 1.0 109.488 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 6.1 t -144.25 155.76 44.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.0 109.446 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.06 -34.87 74.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.915 . . . . 1.0 109.59 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.983 -1.008 . . . . 1.0 109.421 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.388 2.515 . . . . 1.0 119.388 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 50.9 m -66.5 154.77 39.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.24 -1.153 . . . . 1.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -157.91 179.52 33.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -60.22 -34.46 73.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -1.118 . . . . 1.0 109.432 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.36 153.0 76.04 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.186 -0.946 . . . . 1.0 109.621 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -44.16 166.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.888 2.392 . . . . 1.0 112.079 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.83 152.49 22.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.107 -0.996 . . . . 1.0 109.232 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 54.0 mp0 -94.39 161.42 14.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 558' ' ' VAL . 2.5 pp -61.21 -35.71 77.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.105 -0.997 . . . . 1.0 110.509 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.76 -36.86 83.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.949 -1.094 . . . . 1.0 110.418 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' VAL . . . . . 0.512 ' O ' ' OG1' ' A' ' 560' ' ' THR . 72.2 t -77.45 -43.58 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.721 -1.237 . . . . 1.0 107.708 178.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 703' ' ' PHE . . . -59.11 -43.94 91.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.542 -0.724 . . . . 1.0 109.562 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 554' ' ' LEU . 13.8 m -70.41 -31.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 1.0 109.389 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.46 -47.98 37.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 1.0 109.925 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.8 -42.27 97.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.929 -1.107 . . . . 1.0 109.591 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -57.57 -34.38 69.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.092 -1.005 . . . . 1.0 109.198 179.186 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.47 84.06 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.443 -0.785 . . . . 1.0 109.548 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -61.84 -36.09 80.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.257 -0.902 . . . . 1.0 108.897 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -61.57 -40.85 96.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.455 -0.778 . . . . 1.0 109.215 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.07 -33.75 73.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.307 -0.87 . . . . 1.0 109.692 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -79.06 -51.16 9.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.992 -1.068 . . . . 1.0 108.497 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.49 -34.84 91.05 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 564' ' ' LEU . 79.2 t -71.05 -48.62 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -1.21 . . . . 1.0 108.887 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.0 p -66.81 -37.15 83.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.268 -0.895 . . . . 1.0 109.043 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 95.2 m -65.5 -44.29 87.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.633 -0.667 . . . . 1.0 110.904 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 567' ' ' GLY . 54.5 p -69.49 -35.21 75.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.024 -1.047 . . . . 1.0 110.355 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' VAL . . . . . 0.478 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 85.4 t -70.03 -37.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.898 -1.126 . . . . 1.0 109.563 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.13 82.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.169 -0.957 . . . . 1.0 108.647 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -58.7 -48.82 79.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 1.0 109.433 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.0 tp -57.34 -48.24 79.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.42 -0.8 . . . . 1.0 109.129 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -40.3 74.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.521 -0.737 . . . . 1.0 109.148 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -43.07 99.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 1.0 109.101 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 36.5 tp -64.34 -43.34 94.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.308 -0.87 . . . . 1.0 109.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 580' ' ' GLY . 72.7 t -73.25 -50.81 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.161 -0.962 . . . . 1.0 109.556 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 579' ' ' VAL . . . 44.29 -114.13 0.96 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.549 -1.421 . . . . 1.0 109.549 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 582' ' ' ALA . 44.3 p -114.47 28.58 8.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 1.0 109.528 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 581' ' ' SER . . . 72.62 178.89 0.23 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.92 . . . . 1.0 109.481 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 22.8 m -57.25 -36.55 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.261 -0.899 . . . . 1.0 109.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -167.39 -167.8 28.61 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.488 -1.445 . . . . 1.0 109.488 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -53.2 146.75 38.04 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.83 2.353 . . . . 1.0 112.183 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -55.39 -37.51 66.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 79.12 -163.54 49.19 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 589' ' ' ARG . 19.3 p90 -98.98 -48.54 4.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -1.136 . . . . 1.0 109.509 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 588' ' ' TRP . 0.5 OUTLIER 46.79 93.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.424 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.7 m -60.1 -42.3 94.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.94 . . . . 1.0 109.435 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' THR . . . . . 0.513 HG23 ' OG ' ' A' ' 592' ' ' SER . 13.4 t -152.3 163.13 40.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 1.0 109.438 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' SER . . . . . 0.513 ' OG ' HG23 ' A' ' 591' ' ' THR . 0.7 OUTLIER 69.9 113.91 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 1.0 109.435 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -133.42 61.61 55.17 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.88 . . . . 1.0 109.417 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.99 151.55 62.13 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.763 2.309 . . . . 1.0 112.241 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' GLN . . . . . 0.478 ' OE1' HG22 ' A' ' 599' ' ' VAL . 0.0 OUTLIER -62.64 137.97 58.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 1.0 109.471 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -70.43 -51.94 12.22 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.088 -1.008 . . . . 1.0 110.277 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 597' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 37.5 Cg_endo -73.5 133.95 19.78 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.135 1.89 . . . . 1.0 113.964 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.449 ' O ' ' OD2' ' A' ' 601' ' ' ASP . 86.8 Cg_exo -42.37 152.49 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.613 1.542 . . . . 1.0 111.933 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' VAL . . . . . 0.478 HG22 ' OE1' ' A' ' 595' ' ' GLN . 76.6 t -70.4 -33.47 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.247 -0.908 . . . . 1.0 110.186 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.1 -45.73 91.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.041 -1.037 . . . . 1.0 109.694 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 602' ' ' LEU . 2.9 p30 -63.16 -35.42 80.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.349 -0.844 . . . . 1.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.609 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.0 tt -77.28 -43.14 34.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 1.0 108.994 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -68.27 -39.11 82.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.347 -0.846 . . . . 1.0 109.522 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.03 -34.09 74.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 1.0 109.813 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.64 77.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.16 -0.962 . . . . 1.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.22 -36.52 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.975 -1.078 . . . . 1.0 109.507 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.61 75.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.72 95.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 1.0 109.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 1.2 t -61.8 -43.7 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 1.0 109.278 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 614' ' ' HIS . 4.9 m80 -59.24 -29.04 67.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 1.0 109.319 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -67.62 -43.89 84.02 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.08 76.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.812 -1.405 . . . . 1.0 110.277 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' VAL . . . . . 0.568 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.1 OUTLIER -72.11 -43.27 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 614' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 610' ' ' HIS . 2.1 m-70 -55.01 -37.03 66.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 1.0 108.977 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.49 66.41 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.366 -0.976 . . . . 1.0 108.366 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.639 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.5 tt -70.4 -44.76 67.32 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.379 -0.971 . . . . 1.0 108.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.938 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -60.77 -35.73 77.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.367 -0.833 . . . . 1.0 108.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.46 -44.2 65.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.186 -0.946 . . . . 1.0 109.897 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' PHE . . . . . 0.564 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.7 m-85 -62.56 -45.81 91.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.031 -1.043 . . . . 1.0 109.132 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.5 -38.63 90.67 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -42.11 73.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.713 -0.617 . . . . 1.0 109.651 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.6 t -60.64 -46.48 90.15 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.24 -0.913 . . . . 1.0 108.775 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.8 80.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.409 -0.807 . . . . 1.0 109.373 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 620' ' ' ALA . 76.0 t -60.99 -48.14 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.454 -0.779 . . . . 1.0 109.803 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 624' ' ' VAL . 9.4 p 32.78 43.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.92 . . . . 1.0 109.675 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.508 ' H ' HG12 ' A' ' 624' ' ' VAL . 1.2 m 61.94 58.28 1.94 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.216 -0.927 . . . . 1.0 109.471 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 626' ' ' SER . . . -42.13 142.14 0.79 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.924 . . . . 1.0 109.769 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 629' ' ' HIS . 33.1 m -87.4 158.43 19.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.359 -0.838 . . . . 1.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 628' ' ' THR . 95.3 m-70 -92.32 132.36 36.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 1.0 109.592 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 66.7 p -136.44 -158.28 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.247 -0.908 . . . . 1.0 109.391 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 20.1 m -50.23 -41.65 50.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.243 -0.911 . . . . 1.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -99.42 131.22 45.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.968 . . . . 1.0 109.45 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -141.19 -19.08 0.79 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -0.92 . . . . 1.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.5 m -60.22 -39.67 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 1.0 109.561 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 635' ' ' LEU . 9.6 mp -60.37 -47.32 86.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.2 -0.937 . . . . 1.0 109.211 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -61.88 -46.13 90.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.209 -0.932 . . . . 1.0 108.514 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.79 75.12 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.782 -0.821 . . . . 1.0 108.782 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' LYS . . . . . 0.526 ' HZ2' ' HB2' ' A' ' 638' ' ' LYS . 0.0 OUTLIER -63.77 -38.29 90.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 1.0 109.157 178.232 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 639' ' ' LEU . . . . . 0.515 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.8 tt -59.81 -47.45 85.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 1.0 109.484 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 24.5 m -57.91 -41.91 83.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.873 . . . . 1.0 109.755 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.01 -45.31 95.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 1.0 109.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' GLN . . . . . 0.687 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 85.4 mt-30 -72.69 -30.5 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 1.0 110.159 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -50.84 61.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.129 -0.982 . . . . 1.0 109.304 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.89 -36.21 83.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -0.925 . . . . 1.0 108.849 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -63.03 -35.02 78.82 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.664 -1.235 . . . . 1.0 107.664 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 3.4 tpt -70.06 -37.65 75.55 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.383 -0.969 . . . . 1.0 108.383 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.14 -49.82 74.33 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.667 0.746 . . . . 1.0 109.081 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.72 -42.71 68.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.668 -0.645 . . . . 1.0 109.955 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.47 -36.0 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 1.0 109.628 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.938 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.1 m-85 -62.3 -51.68 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 1.0 109.796 -179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -68.81 -36.84 78.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 1.0 109.549 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 84.8 m -57.71 -41.49 81.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.207 -0.933 . . . . 1.0 109.182 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.774 HD21 ' CB ' ' A' ' 680' ' ' CYS . 41.9 mt -69.26 -41.56 76.74 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 1.0 109.179 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.83 -44.1 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -0.863 . . . . 1.0 109.989 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.6 -46.43 89.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.975 -1.078 . . . . 1.0 108.444 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.58 -41.49 90.33 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.277 -1.008 . . . . 1.0 108.277 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.9 -44.55 55.49 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -58.03 -40.12 80.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.01 -1.288 . . . . 1.0 109.452 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.91 -34.46 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -0.843 . . . . 1.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.71 -32.55 63.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.939 -1.101 . . . . 1.0 109.208 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.61 130.9 48.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 1.0 109.6 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 23.6 t -66.03 152.13 45.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.338 -0.851 . . . . 1.0 109.585 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 178.5 -163.08 30.78 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.457 -1.457 . . . . 1.0 109.457 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -54.67 -34.75 62.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -1.179 . . . . 1.0 109.483 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.13 12.05 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.494 -1.442 . . . . 1.0 109.494 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -137.14 74.83 0.4 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.492 -1.443 . . . . 1.0 109.492 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.47 -28.04 34.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.004 2.469 . . . . 1.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 92.22 100.39 1.38 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -143.11 162.92 34.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 1.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 671' ' ' LEU . 1.4 t -167.53 -114.9 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.282 -0.886 . . . . 1.0 109.651 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' LEU . . . . . 0.488 ' H ' HG23 ' A' ' 670' ' ' THR . 2.5 mm? -62.2 -26.82 68.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.0 109.211 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 22.6 p-10 -67.28 -43.06 82.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 1.0 109.517 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 0.2 OUTLIER -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 1.0 109.684 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.08 -43.63 74.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 1.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.06 -37.96 78.28 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.521 -1.288 . . . . 1.0 107.521 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -71.45 -40.28 70.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.703 -0.623 . . . . 1.0 109.504 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.12 -49.39 44.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.052 -1.03 . . . . 1.0 108.673 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.98 -32.91 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.08 -46.81 66.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.481 -0.762 . . . . 1.0 109.238 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.774 ' CB ' HD21 ' A' ' 653' ' ' LEU . 77.6 m -65.75 -39.43 91.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.27 -0.894 . . . . 1.0 109.691 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 0.1 OUTLIER -54.65 -34.32 62.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.193 -0.942 . . . . 1.0 110.575 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -78.8 -28.48 44.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.657 -1.277 . . . . 1.0 109.674 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.42 63.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.135 -0.978 . . . . 1.0 110.446 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 684' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -60.45 -50.05 87.41 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.157 -0.965 . . . . 1.0 112.338 -175.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.8 Cg_exo -65.38 -41.93 14.41 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.604 1.536 . . . . 1.0 112.678 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -40.09 92.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.909 -1.119 . . . . 1.0 108.682 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -75.77 -35.88 60.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.516 -0.74 . . . . 1.0 109.586 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.06 95.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.1 . . . . 1.0 108.87 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.433 -0.792 . . . . 1.0 109.376 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.82 -43.04 72.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 1.0 108.922 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.69 -36.2 78.18 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -35.87 77.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 1.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.4 m -68.15 -35.16 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 1.0 109.726 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.687 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.2 m-30 -65.03 -42.13 94.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 1.0 108.789 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.9 mp -62.76 -35.62 80.41 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.251 -0.906 . . . . 1.0 108.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 52.3 m170 -70.48 -40.68 73.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -0.81 . . . . 1.0 109.654 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.68 -26.17 64.48 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.166 -1.574 . . . . 1.0 109.166 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 698' ' ' ASN . . . . . 0.515 HD21 ' CD1' ' A' ' 639' ' ' LEU . 30.7 p30 -119.34 3.29 11.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.464 -1.021 . . . . 1.0 109.531 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -49.74 -39.89 39.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 1.0 109.396 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 700' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 704' ' ' ARG . 36.4 m -51.22 -35.23 35.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.223 -0.923 . . . . 1.0 109.72 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 95.0 mt -87.29 -41.07 13.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 1.0 110.796 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 698' ' ' ASN . 25.8 mt -56.43 -32.96 65.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.878 -1.139 . . . . 1.0 108.864 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 557' ' ' ALA . 8.8 m-85 -116.53 -75.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 1.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 704' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 700' ' ' SER . 60.6 ttt-85 -67.51 64.51 0.07 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.328 -0.858 . . . . 1.0 109.256 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 705' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 703' ' ' PHE . 94.6 mtt180 -49.92 -31.9 13.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 1.0 109.48 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 20.3 p -69.92 154.04 42.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.939 . . . . 1.0 109.489 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -162.82 92.42 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 1.0 109.435 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.993 -1.003 . . . . 1.0 109.487 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.482 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.6 tp -57.71 -41.28 81.43 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.251 -0.906 . . . . 1.0 109.561 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.14 -41.02 97.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.118 -0.989 . . . . 1.0 109.799 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.518 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.5 t -69.87 -47.0 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.647 -1.242 . . . . 1.0 107.647 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.47 82.25 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.523 -0.918 . . . . 1.0 108.523 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.0 t -70.3 -39.27 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.391 -0.818 . . . . 1.0 108.962 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.88 -51.93 23.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.38 -0.825 . . . . 1.0 110.164 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.3 OUTLIER -62.95 -45.97 89.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.899 -1.125 . . . . 1.0 109.944 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.89 -38.27 85.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.92 -1.113 . . . . 1.0 109.79 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.79 -35.23 70.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.0 109.732 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -65.01 -39.48 93.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 1.0 108.897 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.6 mp -61.81 -42.82 99.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.569 -0.707 . . . . 1.0 109.919 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.88 -34.54 76.22 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 1.0 109.717 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -77.85 -48.55 16.2 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.791 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.54 -33.15 83.83 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 572' ' ' VAL . 52.3 t -74.86 -48.75 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.135 -1.215 . . . . 1.0 108.603 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 24.3 t -64.67 -31.68 73.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.278 -0.889 . . . . 1.0 108.757 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 574' ' ' HIS . 59.8 m -76.04 -40.54 53.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.627 -0.67 . . . . 1.0 109.606 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 567' ' ' GLY . 30.7 p -69.18 -45.41 70.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 1.0 109.472 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 568' ' ' VAL . 26.6 m -60.58 -34.76 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 1.0 109.091 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 572' ' ' VAL . . . -59.13 -37.61 77.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 570' ' ' THR . 3.2 m-70 -60.45 -43.61 96.7 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.601 -0.687 . . . . 1.0 109.673 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.5 tp -54.61 -45.4 73.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 1.0 109.836 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -36.48 71.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 1.0 109.38 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -63.63 -37.97 89.34 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.22 -0.925 . . . . 1.0 109.263 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.45 -35.83 68.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0 109.525 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 575' ' ' LEU . 56.4 t . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 1.0 109.522 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.165 0.507 . . . . 1.0 109.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.71 -41.95 78.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.175 -0.953 . . . . 1.0 109.45 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.304 -0.872 . . . . 1.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 606' ' ' VAL . 32.9 tp -71.84 -43.49 65.45 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.382 -0.824 . . . . 1.0 109.084 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.88 -34.5 76.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.372 -0.83 . . . . 1.0 109.92 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.08 -40.33 68.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.894 . . . . 1.0 110.54 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.53 -46.62 59.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.029 -1.044 . . . . 1.0 110.252 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 610' ' ' HIS . 11.7 p -62.14 -40.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.976 -1.078 . . . . 1.0 109.38 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.473 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -69.54 -35.47 75.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0 109.506 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.3 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 1.0 109.73 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.486 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.5 OUTLIER -62.39 -42.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.112 -0.993 . . . . 1.0 109.158 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.688 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 29.2 m-70 -63.06 -37.92 89.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 1.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.41 -41.18 96.91 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.61 77.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.909 -1.348 . . . . 1.0 109.746 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.625 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.7 t -65.79 -47.12 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 1.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.19 -38.23 62.65 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.401 -0.963 . . . . 1.0 108.401 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.11 -32.32 72.0 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.227 -1.027 . . . . 1.0 108.227 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.673 ' CD1' ' HB1' ' A' ' 688' ' ' ALA . 2.4 tt -71.06 -42.42 69.45 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.603 -1.258 . . . . 1.0 107.603 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -40.88 94.5 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.765 -1.198 . . . . 1.0 107.765 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.12 -45.15 61.68 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.354 -0.841 . . . . 1.0 109.7 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -61.75 -47.81 83.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 1.0 109.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -63.17 -38.58 91.73 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.412 -0.958 . . . . 1.0 108.412 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -47.42 83.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.747 -0.596 . . . . 1.0 109.809 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 49.4 m -58.83 -42.04 88.31 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 1.0 109.317 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.95 78.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 1.0 109.644 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 620' ' ' ALA . 62.3 t -60.58 -38.1 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 1.0 109.481 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 1.0 109.465 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.13 -47.3 83.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 1.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -61.04 -44.16 97.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.044 -1.035 . . . . 1.0 108.482 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.53 73.32 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -63.95 -44.9 91.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.0 109.805 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.429 HD21 HG22 ' A' ' 624' ' ' VAL . 23.3 tp -69.36 -47.33 64.65 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.896 . . . . 1.0 109.676 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 19.4 m -60.88 -42.12 97.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 1.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -60.15 -46.68 88.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.254 -0.904 . . . . 1.0 109.677 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.417 ' NE2' ' NZ ' ' A' ' 645' ' ' LYS . 22.4 tp60 -75.12 -36.82 61.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 1.0 109.966 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.32 -48.88 54.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.292 -0.88 . . . . 1.0 109.879 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 645' ' ' LYS . 1.4 pt20 -63.74 -35.23 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.043 . . . . 1.0 108.842 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.493 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.69 -37.11 86.13 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.713 -1.218 . . . . 1.0 107.713 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 27.0 tpp -67.96 -38.57 82.93 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.99 -51.51 68.94 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.986 -0.746 . . . . 1.0 108.986 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . 0.64 ' O ' HG23 ' A' ' 652' ' ' THR . 29.5 t0 -64.23 -40.68 96.55 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.542 -0.724 . . . . 1.0 109.431 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.4 t -70.55 -35.21 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.326 -0.859 . . . . 1.0 109.81 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.688 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 14.5 t80 -68.86 -39.73 79.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.0 109.909 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.87 -29.76 65.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.89 -1.132 . . . . 1.0 109.464 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 648' ' ' ASP . 37.0 p -66.2 -37.1 84.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 1.0 110.508 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 680' ' ' CYS . 9.4 mt -73.46 -33.79 65.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.77 -1.206 . . . . 1.0 109.87 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.59 -43.13 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 1.0 109.067 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -68.67 -43.86 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.046 -1.034 . . . . 1.0 108.523 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -65.43 -37.93 88.38 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.485 -1.302 . . . . 1.0 107.485 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.48 -44.12 42.51 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -57.0 -31.36 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.036 -1.273 . . . . 1.0 108.685 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 655' ' ' VAL . 80.0 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.35 -0.844 . . . . 1.0 108.936 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.3 OUTLIER -65.19 -28.94 69.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.291 -0.88 . . . . 1.0 109.241 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.427 ' N ' ' HG ' ' A' ' 660' ' ' LEU . 55.7 t0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.416 -0.803 . . . . 1.0 109.556 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.75 -26.03 63.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 1.0 108.631 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.68 -48.52 81.34 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 1.0 109.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' A' ' 676' ' ' ARG . 75.9 m-20 -55.81 -35.42 66.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.38 -0.825 . . . . 1.0 110.069 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.7 -34.73 77.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 1.0 109.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.08 -36.47 79.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.525 -1.287 . . . . 1.0 107.525 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' A' ' 673' ' ' ASP . 87.7 mtm-85 -75.05 -36.69 61.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.697 -0.627 . . . . 1.0 109.497 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.76 -46.75 71.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.966 -1.084 . . . . 1.0 108.705 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . 0.528 HG12 ' HE ' ' A' ' 682' ' ' ARG . 79.3 t -58.49 -31.06 42.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.77 -46.88 51.03 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.54 -0.725 . . . . 1.0 109.501 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 653' ' ' LEU . 59.2 m -67.35 -37.94 84.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.121 -0.987 . . . . 1.0 109.41 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.618 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -57.01 -34.73 68.46 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 1.0 110.416 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.528 ' HE ' HG12 ' A' ' 678' ' ' VAL . 0.0 OUTLIER -73.04 -25.8 61.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.87 -1.144 . . . . 1.0 110.551 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.69 -42.47 67.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.98 -1.075 . . . . 1.0 111.657 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.563 HG11 HG21 ' A' ' 613' ' ' VAL . 2.1 t -60.28 -51.73 78.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 1.0 112.192 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.618 ' CD ' ' O ' ' A' ' 681' ' ' SER . 36.7 Cg_endo -65.82 -37.43 27.55 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.011 1.807 . . . . 1.0 112.955 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.36 -38.19 79.79 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.882 -1.136 . . . . 1.0 108.01 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -72.14 -30.05 64.64 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.673 ' HB1' ' CD1' ' A' ' 616' ' ' LEU . . . -59.68 -43.4 94.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.21 -0.932 . . . . 1.0 108.693 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.19 -43.34 87.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.444 -0.785 . . . . 1.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.23 -42.0 89.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.943 -1.098 . . . . 1.0 110.0 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mt -60.39 -35.16 75.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.966 -1.084 . . . . 1.0 108.673 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.5 -36.14 75.47 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.5 m -65.92 -41.5 91.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -0.893 . . . . 1.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.484 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.2 m-85 -64.94 -36.24 83.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 1.0 108.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 699' ' ' ALA . 95.0 mt -61.5 -37.66 84.46 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 40.8 m80 -66.79 -47.56 71.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.461 -0.775 . . . . 1.0 110.128 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -55.44 -27.2 47.09 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.843 -1.303 . . . . 1.0 109.843 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.63 4.79 10.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -1.21 . . . . 1.0 109.689 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.61 -40.03 59.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 1.0 109.661 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 78.8 p -52.16 -35.63 49.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.224 -0.922 . . . . 1.0 109.605 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.68 -37.92 16.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 1.0 110.342 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.45 -33.97 66.4 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.614 -1.304 . . . . 1.0 107.993 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -121.07 -80.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.411 -0.806 . . . . 1.0 109.638 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 120.971 -1.081 . . . . 1.0 109.667 -179.762 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.796 0.807 . . . . 1.0 109.106 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.33 -41.24 75.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.0 tt0 -57.81 -44.66 86.52 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.502 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.2 -45.29 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.14 81.31 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.165 -0.68 . . . . 1.0 109.165 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -44.23 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.053 -1.029 . . . . 1.0 109.151 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 65.2 mm-40 -71.61 -48.79 45.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.167 -0.958 . . . . 1.0 109.277 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.6 m -59.69 -45.58 91.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.776 -1.202 . . . . 1.0 109.822 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.38 -46.71 89.0 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.159 -0.963 . . . . 1.0 109.747 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.16 85.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.396 -0.815 . . . . 1.0 109.939 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 566' ' ' GLN . 0.0 OUTLIER -61.08 -38.0 84.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.017 -1.052 . . . . 1.0 109.345 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -75.31 -41.06 57.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.862 . . . . 1.0 109.395 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.27 -30.0 71.22 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.392 -0.817 . . . . 1.0 110.393 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 563' ' ' ARG . 96.2 mt-30 -77.42 -45.32 26.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 1.0 108.795 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -32.13 82.73 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 564' ' ' LEU . 58.3 t -69.24 -49.91 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.109 -1.23 . . . . 1.0 109.013 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 87.0 p -66.99 -37.78 84.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.226 -0.921 . . . . 1.0 108.85 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 48.9 m -62.91 -42.88 99.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 1.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 567' ' ' GLY . 66.9 p -67.86 -33.47 74.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.167 -0.958 . . . . 1.0 109.404 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 568' ' ' VAL . 71.6 t -61.51 -40.27 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.163 -0.961 . . . . 1.0 108.926 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.75 80.29 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.362 -0.977 . . . . 1.0 108.362 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -55.58 -51.62 66.49 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.333 -0.854 . . . . 1.0 109.053 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 579' ' ' VAL . 0.9 OUTLIER -57.88 -47.72 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 1.0 109.467 179.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.496 HD13 HG12 ' A' ' 572' ' ' VAL . 5.4 mp -65.39 -31.45 72.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 1.0 108.991 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.95 -40.73 65.12 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.448 -0.782 . . . . 1.0 109.134 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 578' ' ' LEU . 38.9 tp -66.18 -44.45 83.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 1.0 109.551 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 575' ' ' LEU . 19.0 m . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 1.0 109.531 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.207 0.527 . . . . 1.0 109.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.08 -41.28 78.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 1.0 109.282 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.64 -33.6 74.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.297 -0.877 . . . . 1.0 109.364 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.8 tt -62.02 -42.85 99.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 1.0 109.005 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -60.13 -35.48 75.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.864 . . . . 1.0 109.64 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.5 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 110.103 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.62 -47.24 55.93 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.206 -0.933 . . . . 1.0 110.421 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.5 m -71.32 -36.25 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.905 -1.122 . . . . 1.0 109.423 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -61.8 -36.21 80.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.92 42.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 1.0 110.193 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -62.73 -42.79 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.971 -1.08 . . . . 1.0 109.479 -178.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.499 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 1.4 m-70 -67.05 -38.87 86.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 1.0 109.549 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.91 95.37 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.077 -1.609 . . . . 1.0 109.077 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.54 79.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -1.105 . . . . 1.0 109.321 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 609' ' ' VAL . 90.8 t -66.92 -44.2 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.234 -0.916 . . . . 1.0 108.867 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.404 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 18.6 t-80 -54.48 -34.1 60.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.862 . . . . 1.0 108.904 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.16 -33.45 75.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.182 -0.949 . . . . 1.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.0 tp -66.43 -37.69 85.75 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.855 -0.795 . . . . 1.0 108.855 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' A' ' 650' ' ' TYR . 1.4 mp -75.13 -39.44 60.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.748 -0.595 . . . . 1.0 111.135 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.404 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 42.1 mt-10 -73.17 -45.99 53.35 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.683 -1.261 . . . . 1.0 111.481 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.722 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.2 OUTLIER -71.26 -40.56 70.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.689 -1.257 . . . . 1.0 109.054 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.722 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.78 -40.29 91.82 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.423 ' CD ' ' C ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -60.48 -37.3 80.59 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.794 -0.817 . . . . 1.0 108.794 178.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 22.1 t -59.48 -36.25 75.66 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.797 -0.816 . . . . 1.0 108.797 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.9 -43.01 72.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.436 -0.79 . . . . 1.0 109.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 702' ' ' LEU . 73.3 t -64.39 -40.81 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.0 109.797 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 1.0 108.783 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.799 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.42 -46.85 85.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.0 109.378 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . 0.533 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 44.2 t-80 -62.62 -41.32 98.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 1.0 108.187 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.0 75.42 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.22 -47.05 81.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 1.0 109.682 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.541 ' CD1' HD22 ' A' ' 698' ' ' ASN . 8.8 mp -65.96 -47.34 74.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 1.0 109.43 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . 0.533 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 40.8 m -61.87 -39.42 91.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.313 -0.867 . . . . 1.0 110.22 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -60.74 -46.2 91.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.365 -0.835 . . . . 1.0 110.177 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -73.23 -47.52 42.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 643' ' ' LEU . 28.5 tp -55.9 -46.5 78.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 1.0 109.971 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.0 -32.14 73.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 1.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 649' ' ' VAL . 2.4 tmtt? -67.27 -41.8 84.92 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.859 -1.163 . . . . 1.0 107.859 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.513 ' SD ' HD22 ' A' ' 691' ' ' LEU . 10.7 mtp -64.87 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.216 -1.031 . . . . 1.0 108.216 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.85 -51.16 70.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.609 0.719 . . . . 1.0 109.214 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -61.21 -40.34 93.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.613 -0.679 . . . . 1.0 109.428 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 645' ' ' LYS . 58.1 t -72.09 -37.16 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.24 -0.913 . . . . 1.0 109.637 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.897 ' CD2' HD22 ' A' ' 617' ' ' LEU . 3.6 m-30 -57.73 -41.17 81.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.062 -1.023 . . . . 1.0 109.375 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.87 -36.82 64.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.174 -0.954 . . . . 1.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 45.8 m -59.77 -46.43 89.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 1.0 109.289 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 680' ' ' CYS . 86.5 mt -69.38 -35.83 76.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 1.0 109.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 650' ' ' TYR . 70.2 t -65.16 -44.11 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 1.0 109.477 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 659' ' ' VAL . 84.1 t -67.13 -43.16 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.087 -1.008 . . . . 1.0 108.492 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 656' ' ' HIS . 0.0 OUTLIER -65.12 -41.22 95.07 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.57 66.14 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.77 -28.56 68.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.122 -1.222 . . . . 1.0 109.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -63.5 -40.27 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 1.0 109.878 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.9 OUTLIER -57.26 -23.02 45.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.166 -0.958 . . . . 1.0 109.362 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 1.0 109.572 -179.731 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.47 -0.567 . . . . 1.0 109.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.7 mt -53.78 -23.71 12.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.0 109.216 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -64.99 -47.22 78.32 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.292 -0.88 . . . . 1.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.63 -36.84 67.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.279 -0.888 . . . . 1.0 109.55 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -62.37 -36.89 83.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.36 -0.837 . . . . 1.0 109.433 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.07 -37.0 78.6 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 80.4 mtp180 -74.34 -37.81 63.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.46 -48.51 67.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.149 -0.97 . . . . 1.0 108.472 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . 0.42 HG22 HD21 ' A' ' 575' ' ' LEU . 75.7 t -57.93 -29.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.004 -1.109 . . . . 1.0 108.004 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -64.8 -41.71 95.6 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -67.6 -38.43 83.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 1.0 109.628 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.638 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 25.3 t -58.59 -34.81 71.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.255 -0.903 . . . . 1.0 111.401 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -77.61 -32.78 53.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.568 -1.333 . . . . 1.0 110.051 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.6 65.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.132 -0.98 . . . . 1.0 111.482 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -56.5 -52.99 69.03 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 1.0 112.368 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.638 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.5 Cg_endo -63.19 -41.17 28.97 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.986 1.791 . . . . 1.0 113.153 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.51 -41.53 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.816 -1.178 . . . . 1.0 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.43 -29.8 62.81 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.532 -0.73 . . . . 1.0 109.312 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.37 -42.03 94.94 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.12 -0.988 . . . . 1.0 108.721 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.38 -41.18 89.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.534 -0.729 . . . . 1.0 109.478 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.26 -43.31 78.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 1.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.513 HD22 ' SD ' ' A' ' 646' ' ' MET . 6.1 tp -60.19 -36.94 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.8 -32.74 69.63 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.743 -0.836 . . . . 1.0 108.743 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.6 m -68.59 -38.54 80.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.0 109.387 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -0.949 . . . . 1.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 699' ' ' ALA . 4.0 mm? -64.84 -36.98 86.1 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.081 -1.081 . . . . 1.0 108.081 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 10.6 t60 -70.83 -43.88 67.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 1.0 109.895 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.53 -29.34 47.6 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.809 -1.316 . . . . 1.0 109.809 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.541 HD22 ' CD1' ' A' ' 639' ' ' LEU . 78.8 m-20 -122.73 9.03 9.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -1.197 . . . . 1.0 109.629 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.57 -31.32 62.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.185 -0.947 . . . . 1.0 109.434 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 704' ' ' ARG . 20.0 m -53.61 -38.03 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.968 . . . . 1.0 109.909 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.0 mt -87.58 -33.96 18.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.984 . . . . 1.0 110.369 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 624' ' ' VAL . 71.0 mt -59.27 -35.61 74.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.924 -1.11 . . . . 1.0 108.107 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -118.56 -74.57 0.6 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 1.0 109.167 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 700' ' ' SER . 53.1 ttt85 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.283 -0.885 . . . . 1.0 109.875 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.157 -0.682 . . . . 1.0 109.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.428 HD13 ' HB1' ' A' ' 699' ' ' ALA . 28.6 tp -57.81 -36.75 72.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 1.0 110.47 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.88 -40.27 94.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.936 -1.103 . . . . 1.0 109.719 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 84.3 t -72.2 -41.07 66.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.945 -1.132 . . . . 1.0 107.945 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.63 98.52 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.904 -0.776 . . . . 1.0 108.904 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -34.46 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.037 -1.039 . . . . 1.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.11 -50.54 19.05 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 1.0 109.531 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 87.9 m -60.18 -40.63 90.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.807 -1.183 . . . . 1.0 110.021 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.54 ' O ' ' NE2' ' A' ' 565' ' ' GLN . 6.5 tt -58.89 -46.85 86.85 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.22 -0.925 . . . . 1.0 110.275 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.34 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 1.0 110.413 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -64.24 -38.97 92.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.918 -1.114 . . . . 1.0 108.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.0 mp -73.99 -36.54 64.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.323 -0.861 . . . . 1.0 109.735 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.731 HE21 ' N ' ' A' ' 565' ' ' GLN . 0.0 OUTLIER -62.94 -34.57 77.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.936 . . . . 1.0 110.644 -179.15 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.77 -41.4 30.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.828 -1.17 . . . . 1.0 108.793 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.31 -33.35 84.15 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.425 -1.87 . . . . 1.0 108.425 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 564' ' ' LEU . 70.2 t -71.59 -49.42 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.41 -1.053 . . . . 1.0 108.784 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 m -68.59 -37.02 79.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -0.886 . . . . 1.0 108.792 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.1 m -62.26 -42.72 99.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 1.0 109.824 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.823 ' OG1' HG23 ' A' ' 609' ' ' VAL . 66.8 p -67.87 -33.66 75.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 1.0 110.055 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.39 -39.41 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.12 -0.988 . . . . 1.0 109.158 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.61 82.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.372 -0.83 . . . . 1.0 109.395 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -62.28 -47.78 82.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 1.0 109.521 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.35 -45.36 76.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 1.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -41.5 69.29 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.182 -0.949 . . . . 1.0 108.59 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.54 -41.04 96.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.5 -0.75 . . . . 1.0 109.404 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.5 tt -71.99 -43.71 64.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.0 109.468 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 1.0 109.557 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.096 0.474 . . . . 1.0 109.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -57.98 -40.36 80.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 1.0 109.116 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.28 -43.67 97.23 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 121.359 -0.838 . . . . 1.0 108.949 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.0 OUTLIER -69.94 -42.95 72.57 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.432 -0.793 . . . . 1.0 109.137 179.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -59.78 -33.88 72.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.438 -0.789 . . . . 1.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 1.0 110.15 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.35 65.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.179 -0.951 . . . . 1.0 110.254 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.443 ' H ' HG13 ' A' ' 606' ' ' VAL . 1.3 m -69.53 -34.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.007 -1.058 . . . . 1.0 109.661 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -64.21 -31.6 72.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -0.932 . . . . 1.0 109.56 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.62 -53.86 16.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 1.0 110.366 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.823 HG23 ' OG1' ' A' ' 571' ' ' THR . 3.9 p -62.24 -42.06 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 1.0 109.658 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.63 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -63.73 -41.83 97.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.111 -0.993 . . . . 1.0 109.267 179.046 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -58.59 -41.07 95.4 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.699 -1.76 . . . . 1.0 108.699 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.19 73.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -1.09 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 650' ' ' TYR . 25.6 t -68.05 -44.51 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.581 -1.325 . . . . 1.0 108.476 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.42 -38.33 71.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -0.826 . . . . 1.0 109.529 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 618' ' ' GLU . 77.6 mm-40 -59.22 -36.72 75.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.899 -1.126 . . . . 1.0 107.965 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.615 ' CD1' HE22 ' A' ' 565' ' ' GLN . 5.7 tp -68.06 -37.27 81.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.791 -0.568 . . . . 1.0 109.669 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.566 HD23 ' OE2' ' A' ' 647' ' ' GLU . 5.1 mp -76.1 -41.08 51.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 1.0 111.352 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 619' ' ' PHE . 16.2 pt-20 -72.77 -44.89 61.02 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.779 -1.2 . . . . 1.0 111.195 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.1 OUTLIER -71.32 -42.06 69.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.697 -1.252 . . . . 1.0 108.91 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.76 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -62.48 -38.98 91.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.518 -1.29 . . . . 1.0 107.518 178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.15 75.85 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 13.0 t -58.88 -37.58 76.89 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.889 -0.782 . . . . 1.0 108.889 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.83 82.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.332 -0.855 . . . . 1.0 109.607 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.474 HG22 HD21 ' A' ' 639' ' ' LEU . 93.9 t -63.96 -41.74 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -0.832 . . . . 1.0 109.922 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 1.0 109.005 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 82.1 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.59 -47.23 84.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 1.0 109.217 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -59.63 -47.58 85.04 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . 0.713 ' HB1' ' HE ' ' A' ' 641' ' ' ARG . . . -62.65 -51.8 65.81 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.435 -0.95 . . . . 1.0 108.435 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -60.66 -38.66 85.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.41 -0.806 . . . . 1.0 109.681 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 624' ' ' VAL . 53.8 tp -73.94 -45.93 47.29 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.23 -0.919 . . . . 1.0 109.201 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 21.6 m -61.53 -45.73 92.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.892 . . . . 1.0 110.468 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . 0.713 ' HE ' ' HB1' ' A' ' 637' ' ' ALA . 46.6 mtt-85 -60.83 -45.72 93.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.881 -1.137 . . . . 1.0 110.17 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -71.68 -44.16 64.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.927 -1.108 . . . . 1.0 109.813 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -70.14 -41.71 73.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.16 -0.962 . . . . 1.0 110.025 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.8 -37.0 86.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.06 -1.025 . . . . 1.0 108.572 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -63.44 -37.91 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 617' ' ' LEU . 13.4 tpp -67.24 -37.54 83.7 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.941 0.877 . . . . 1.0 108.723 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.566 ' OE2' HD23 ' A' ' 617' ' ' LEU . 54.5 mm-40 -63.64 -51.27 65.92 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.62 0.724 . . . . 1.0 109.637 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.29 -42.84 74.94 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.482 -0.761 . . . . 1.0 109.779 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.69 -44.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.0 109.307 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.709 ' CD1' HG11 ' A' ' 613' ' ' VAL . 22.5 t80 -62.88 -33.59 75.62 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.391 -0.818 . . . . 1.0 109.864 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.45 -32.25 72.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 1.0 109.812 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 62.4 m -65.89 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 1.0 109.204 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.99 -36.21 82.68 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 1.0 109.138 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.78 -44.58 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.36 -0.838 . . . . 1.0 109.655 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.58 -46.28 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.901 -1.125 . . . . 1.0 108.283 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -60.94 -37.46 82.41 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.35 -41.6 37.14 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.25 -29.0 57.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.101 -1.235 . . . . 1.0 109.343 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -39.81 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 1.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.454 HD11 HD13 ' A' ' 602' ' ' LEU . 1.2 tt -81.3 89.36 6.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.024 -1.048 . . . . 1.0 109.394 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 1.0 109.552 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.238 0.542 . . . . 1.0 109.747 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.9 -24.41 51.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.0 109.4 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.0 -48.24 82.51 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.37 -0.831 . . . . 1.0 109.557 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.03 -33.73 67.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.0 109.747 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.75 -37.98 83.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 1.0 109.475 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.54 -36.23 79.99 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.316 -1.364 . . . . 1.0 107.316 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -73.7 -38.59 64.8 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.122 -0.696 . . . . 1.0 109.122 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.0 tt -69.8 -48.05 60.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 1.0 108.873 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.05 -31.01 40.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.068 -1.086 . . . . 1.0 108.068 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.19 57.38 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.594 -0.691 . . . . 1.0 109.199 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 15.5 m -63.5 -36.19 82.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 1.0 109.206 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.581 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.8 t -58.67 -33.89 70.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.268 -0.895 . . . . 1.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -71.68 -25.95 62.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.731 -1.23 . . . . 1.0 109.537 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.42 -43.08 70.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 1.0 111.171 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 684' ' ' VAL . 0.0 OUTLIER -57.95 -51.74 79.53 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.864 -1.147 . . . . 1.0 112.012 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.581 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.6 Cg_exo -61.02 -43.8 28.06 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.901 1.734 . . . . 1.0 112.949 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.68 -40.62 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.733 -1.229 . . . . 1.0 108.073 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.42 -36.07 78.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.719 . . . . 1.0 109.455 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.08 98.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.008 . . . . 1.0 108.771 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 29.6 ttmt -66.53 -48.91 68.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.389 -0.82 . . . . 1.0 108.931 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.78 -43.42 98.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.435 -0.791 . . . . 1.0 109.171 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.14 -34.74 70.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.048 -1.093 . . . . 1.0 108.048 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 689' ' ' LYS . . . -59.17 -35.56 73.76 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.388 -0.82 . . . . 1.0 108.934 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.9 t -63.91 -41.51 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 1.0 109.945 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -61.2 -39.97 92.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -0.996 . . . . 1.0 108.523 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.1 mp -62.52 -40.32 96.39 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.75 -51.41 68.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.62 -0.675 . . . . 1.0 110.419 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . 0.568 ' C ' HD22 ' A' ' 698' ' ' ASN . . . -60.73 -23.86 61.52 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.76 -1.209 . . . . 1.0 110.12 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.568 HD22 ' C ' ' A' ' 697' ' ' GLY . 1.7 m120 -114.67 9.29 16.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.328 . . . . 1.0 109.73 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.5 -28.11 66.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 1.0 109.56 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 29.7 m -66.9 -45.41 78.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 1.0 109.723 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.2 -20.68 15.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.0 110.26 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 698' ' ' ASN . 55.0 tp -63.2 -28.63 70.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.8 -1.187 . . . . 1.0 108.403 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -122.11 -99.07 0.43 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.465 -0.772 . . . . 1.0 109.198 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.389 -0.819 . . . . 1.0 109.088 -179.902 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 555' ' ' GLU . 84.7 tt0 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 555' ' ' GLU . 2.0 pp -58.21 -34.26 70.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.375 -0.828 . . . . 1.0 108.998 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 554' ' ' LEU . 79.0 mm-40 -66.81 -37.66 84.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.226 -0.921 . . . . 1.0 110.051 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.638 ' O ' ' OG1' ' A' ' 560' ' ' THR . 74.3 t -72.17 -47.88 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.771 -1.206 . . . . 1.0 107.901 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -57.31 -39.9 76.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.629 -0.67 . . . . 1.0 109.225 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.5 -35.74 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 1.0 109.723 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.1 -46.4 43.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.038 . . . . 1.0 109.808 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -62.3 -48.14 81.2 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.63 -0.669 . . . . 1.0 109.784 -179.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 561' ' ' LEU . 2.6 tt -68.16 -39.66 82.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.202 -0.936 . . . . 1.0 109.614 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.4 98.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.399 -0.813 . . . . 1.0 110.087 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -62.73 -33.38 75.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.088 -1.008 . . . . 1.0 108.641 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 619' ' ' PHE . 4.8 mp -67.2 -38.13 84.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.51 -0.743 . . . . 1.0 109.684 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.525 HE21 HD11 ' A' ' 616' ' ' LEU . 45.8 mm-40 -60.55 -31.85 70.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 1.0 109.207 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.56 -45.72 43.58 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -33.61 87.45 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 572' ' ' VAL . 42.7 t -72.6 -49.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.071 -1.252 . . . . 1.0 108.895 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -41.01 92.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.205 -0.934 . . . . 1.0 109.3 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.2 m -62.35 -40.08 95.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.526 -0.734 . . . . 1.0 110.487 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 567' ' ' GLY . 27.2 p -67.74 -32.91 73.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.002 -1.061 . . . . 1.0 109.77 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.47 HG21 ' HG3' ' A' ' 685' ' ' PRO . 77.3 t -71.66 -35.09 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 1.0 109.55 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.31 99.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.997 . . . . 1.0 108.656 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . 0.652 ' ND1' ' O ' ' A' ' 571' ' ' THR . 1.0 OUTLIER -67.66 -42.0 82.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.704 -0.623 . . . . 1.0 109.582 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.65 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 6.0 tp -58.29 -45.07 88.63 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.383 -0.823 . . . . 1.0 109.644 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -33.44 70.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 1.0 109.322 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -72.18 -43.07 65.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 1.0 109.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 578' ' ' LEU . 37.7 tp -66.93 -43.38 83.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 1.0 109.607 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 1.0 109.533 -179.742 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.03 -46.11 90.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.181 -0.949 . . . . 1.0 109.347 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.09 -32.76 73.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.294 -0.879 . . . . 1.0 109.335 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 660' ' ' LEU . 1.2 mp -63.62 -40.6 97.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 1.0 109.021 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -59.41 -39.25 82.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.338 -0.851 . . . . 1.0 109.579 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.04 71.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 1.0 109.594 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 575' ' ' LEU . . . -67.39 -46.96 71.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.412 -0.805 . . . . 1.0 110.293 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.41 -37.11 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.909 -1.119 . . . . 1.0 109.532 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.88 -32.34 73.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.98 . . . . 1.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.83 40.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.0 109.563 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.518 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -63.07 -42.55 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 1.0 109.116 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 57.7 t60 -63.42 -38.36 90.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.028 -1.045 . . . . 1.0 109.821 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -69.45 -45.61 59.4 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.434 -0.889 . . . . 1.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.12 70.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.758 -1.437 . . . . 1.0 110.27 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 650' ' ' TYR . 2.1 p -69.63 -43.23 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.123 . . . . 1.0 108.35 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.527 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 49.8 t-80 -53.92 -32.47 53.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 1.0 108.79 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -64.83 -30.5 71.5 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.926 -1.139 . . . . 1.0 107.926 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.525 HD11 HE21 ' A' ' 565' ' ' GLN . 0.8 OUTLIER -69.03 -43.85 73.9 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.0 OUTLIER -62.3 -40.27 95.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.142 -1.058 . . . . 1.0 108.142 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 621' ' ' ARG . 75.4 mm-40 -72.85 -46.27 53.81 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.184 -0.947 . . . . 1.0 109.401 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.1 m-85 -62.38 -47.27 84.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.03 -1.044 . . . . 1.0 109.129 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.36 88.6 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.167 -0.958 . . . . 1.0 108.642 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 618' ' ' GLU . 0.0 OUTLIER -68.78 -37.43 79.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.691 -0.63 . . . . 1.0 109.767 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.4 m -57.22 -44.5 83.79 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.099 -1.0 . . . . 1.0 109.098 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.331 -0.856 . . . . 1.0 109.694 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.17 -37.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 1.0 109.492 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 1.0 109.694 179.79 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.425 -0.583 . . . . 1.0 109.425 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 698' ' ' ASN . 4.1 mm? -60.05 -46.8 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0 109.356 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -61.39 -46.11 91.51 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.39 74.04 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.849 -0.796 . . . . 1.0 108.849 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . 0.58 ' NZ ' ' CE2' ' A' ' 694' ' ' PHE . 2.6 mtpp -62.85 -44.92 94.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.409 -0.807 . . . . 1.0 108.992 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 639' ' ' LEU . 6.2 tt -66.84 -46.9 73.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 1.0 109.756 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -63.37 -42.09 98.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.818 . . . . 1.0 109.906 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 -59.77 -46.54 88.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.0 109.756 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -68.54 -33.83 74.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.0 109.701 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.01 -45.34 85.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 1.0 109.641 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.18 -35.07 76.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 1.0 108.769 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.91 -36.73 84.91 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.2 -1.037 . . . . 1.0 108.2 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.2 mtp -69.58 -37.57 77.02 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 617' ' ' LEU . 61.8 mm-40 -59.7 -49.74 76.56 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.325 -0.991 . . . . 1.0 108.325 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.85 -41.21 99.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.799 -0.563 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 645' ' ' LYS . 95.7 t -74.57 -37.29 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.0 109.75 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.946 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -62.94 -46.29 88.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0 109.11 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -70.17 -29.42 66.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 1.0 109.561 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 86.9 m -57.54 -41.86 81.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.228 -0.92 . . . . 1.0 109.252 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 657' ' ' GLY . 3.4 mt -67.77 -39.81 84.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.351 -0.843 . . . . 1.0 109.084 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.527 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 99.6 t -60.6 -44.22 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.314 -0.866 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 t -67.21 -47.2 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.206 -1.035 . . . . 1.0 108.206 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -60.89 -37.08 80.96 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.887 -1.153 . . . . 1.0 107.887 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.19 -47.87 28.12 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.176 -1.57 . . . . 1.0 109.176 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -59.33 -35.29 73.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -1.196 . . . . 1.0 109.222 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.1 t -68.68 -35.0 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.0 109.181 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 602' ' ' LEU . 6.2 tt -55.27 -36.36 66.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.485 -0.759 . . . . 1.0 109.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 1.0 109.649 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.236 0.541 . . . . 1.0 109.95 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.45 -24.48 20.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 1.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -66.31 -46.95 75.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.186 -0.946 . . . . 1.0 109.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.2 -37.22 69.35 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.262 -0.899 . . . . 1.0 109.502 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.34 -35.7 79.93 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.294 -0.879 . . . . 1.0 109.651 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -60.04 -36.22 76.82 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.35 -41.47 73.13 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.78 -48.76 52.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 1.0 108.918 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.24 -31.9 43.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.209 -0.932 . . . . 1.0 108.505 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.85 -46.29 58.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.41 -38.39 87.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.168 -0.958 . . . . 1.0 109.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.622 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -56.17 -33.68 65.47 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -76.17 -28.95 57.53 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.786 -1.196 . . . . 1.0 109.54 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.5 70.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.204 -0.935 . . . . 1.0 111.27 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -58.31 -52.49 74.22 Favored Pre-proline 0 N--CA 1.497 1.919 0 O-C-N 120.867 -1.146 . . . . 1.0 112.117 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.622 ' CD ' ' O ' ' A' ' 681' ' ' SER . 21.6 Cg_endo -62.34 -42.29 28.95 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.813 1.675 . . . . 1.0 113.044 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.84 -42.15 81.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.722 -1.237 . . . . 1.0 108.48 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -75.11 -32.95 61.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.445 -0.785 . . . . 1.0 109.213 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -60.66 -38.77 85.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.121 -0.987 . . . . 1.0 108.766 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -67.06 -36.87 82.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.0 108.796 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.65 -44.44 93.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.16 -35.18 73.06 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.436 -0.95 . . . . 1.0 108.436 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.14 73.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.442 -0.786 . . . . 1.0 109.102 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.3 t -69.84 -40.38 75.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 1.0 109.609 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.58 ' CE2' ' NZ ' ' A' ' 638' ' ' LYS . 3.1 m-85 -61.91 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 1.0 108.89 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.0 mp -64.43 -35.38 80.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.297 -0.877 . . . . 1.0 109.01 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -69.29 -44.44 71.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 1.0 110.34 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.22 -25.67 60.41 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.653 -1.379 . . . . 1.0 109.653 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.572 HD21 HD12 ' A' ' 639' ' ' LEU . 29.0 p30 -120.19 2.71 10.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.318 -1.107 . . . . 1.0 109.646 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.76 -39.73 59.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 1.0 109.903 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 704' ' ' ARG . 67.0 m -52.42 -34.38 48.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.078 -1.014 . . . . 1.0 108.82 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.3 mp -87.58 -41.16 13.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.418 -0.801 . . . . 1.0 110.273 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.505 HD11 ' OD1' ' A' ' 698' ' ' ASN . 70.6 mt -55.54 -34.65 64.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.847 -1.158 . . . . 1.0 109.131 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 44.5 m-85 -104.89 -97.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 1.0 109.71 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' A' ' 700' ' ' SER . 96.8 mtt180 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.098 -1.001 . . . . 1.0 110.218 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -55.79 -40.77 73.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.372 -0.83 . . . . 1.0 109.591 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.72 -43.66 88.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.269 -0.894 . . . . 1.0 110.051 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.13 -44.42 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 107.602 -1.259 . . . . 1.0 107.602 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -59.83 -40.68 89.31 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.753 -0.592 . . . . 1.0 109.744 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -38.96 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.788 -1.195 . . . . 1.0 108.714 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -70.61 -50.6 35.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.419 -0.801 . . . . 1.0 109.736 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.1 t -61.22 -42.8 99.24 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.848 -1.157 . . . . 1.0 109.694 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 560' ' ' THR . 6.3 tp -71.26 -37.84 71.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.016 -1.053 . . . . 1.0 109.309 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.428 ' O ' ' OE1' ' A' ' 566' ' ' GLN . . . -65.9 -41.33 91.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.485 -0.759 . . . . 1.0 109.89 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 564' ' ' LEU . 15.0 ptt180 -61.38 -32.05 71.96 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.065 -1.022 . . . . 1.0 108.69 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.5 mp -70.68 -37.96 73.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.496 -0.753 . . . . 1.0 109.953 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.503 HE22 ' CB ' ' A' ' 688' ' ' ALA . 32.5 mm-40 -61.66 -31.06 71.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.259 -0.901 . . . . 1.0 109.989 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . 0.44 ' N ' ' NE2' ' A' ' 566' ' ' GLN . 1.4 mp0 -79.22 -47.77 15.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.031 -1.043 . . . . 1.0 108.283 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.19 -33.56 87.56 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.735 -1.346 . . . . 1.0 109.735 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 564' ' ' LEU . 74.9 t -70.48 -48.52 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -1.215 . . . . 1.0 108.94 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.8 m -66.03 -37.37 85.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.343 -0.848 . . . . 1.0 108.921 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 91.4 m -62.74 -42.68 99.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.608 -0.683 . . . . 1.0 110.594 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 567' ' ' GLY . 79.8 p -68.81 -35.18 76.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.05 -1.031 . . . . 1.0 110.228 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.52 HG13 ' OG ' ' A' ' 681' ' ' SER . 77.3 t -65.37 -35.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.016 -1.052 . . . . 1.0 108.929 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.56 94.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.188 -0.945 . . . . 1.0 108.994 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . 0.649 ' CD2' ' N ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -60.81 -47.39 86.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 1.0 109.393 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 2.2 tt -57.05 -46.97 82.02 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 1.0 109.623 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -31.0 67.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.0 109.369 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -71.77 -36.68 70.44 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.258 -0.901 . . . . 1.0 109.257 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.09 -45.39 63.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 1.0 109.608 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 575' ' ' LEU . 19.6 m . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 1.0 109.55 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 600' ' ' GLN . 9.6 p . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 121.177 0.513 . . . . 1.0 109.916 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . 0.571 ' N ' HG13 ' A' ' 599' ' ' VAL . 94.0 mt-30 -64.91 -44.94 87.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 1.0 109.252 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.31 -39.49 90.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.355 -0.841 . . . . 1.0 109.312 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.9 -42.2 58.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.822 . . . . 1.0 109.133 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -64.4 -38.0 89.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.448 -0.782 . . . . 1.0 109.403 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.13 72.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.394 -0.816 . . . . 1.0 109.596 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . 0.475 ' HB1' ' NE2' ' A' ' 574' ' ' HIS . . . -68.36 -47.8 66.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 1.0 110.01 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 607' ' ' ALA . 12.2 p -70.15 -36.87 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 1.0 109.502 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -62.13 -42.37 99.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 1.0 109.444 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.34 89.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 0.4 OUTLIER -60.76 -41.8 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.258 -0.901 . . . . 1.0 109.321 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.565 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 10.8 t-80 -61.93 -31.61 71.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.233 -0.917 . . . . 1.0 109.405 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -65.16 -45.76 90.43 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 121.519 -0.738 . . . . 1.0 111.439 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.91 78.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.734 -1.45 . . . . 1.0 110.43 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.699 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.0 OUTLIER -72.64 -40.5 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.007 -1.058 . . . . 1.0 108.287 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.489 ' CE1' ' OE2' ' A' ' 618' ' ' GLU . 11.4 t-160 -54.96 -37.42 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 1.0 108.866 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.64 -30.23 71.25 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.4 tp -70.64 -43.44 69.19 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.506 -0.924 . . . . 1.0 108.506 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -61.99 -39.42 92.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.809 -1.182 . . . . 1.0 107.809 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 614' ' ' HIS . 96.6 mt-10 -72.49 -45.26 60.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -0.808 . . . . 1.0 109.358 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.497 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.4 m-30 -63.81 -46.48 84.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.157 -0.964 . . . . 1.0 108.799 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -67.35 -39.97 85.8 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.373 -0.973 . . . . 1.0 108.373 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 617' ' ' LEU . 0.0 OUTLIER -69.0 -39.64 79.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.658 -0.651 . . . . 1.0 109.76 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 24.1 t -55.86 -44.02 77.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.174 -0.954 . . . . 1.0 109.036 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.33 84.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -0.789 . . . . 1.0 109.533 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.09 -40.1 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.87 . . . . 1.0 109.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 1.0 109.826 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 697' ' ' GLY . 76.6 mt -59.26 -47.06 86.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 1.0 109.401 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -65.02 -43.54 92.15 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.85 78.06 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.86 84.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.461 -0.774 . . . . 1.0 109.399 178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -46.33 86.83 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 1.0 109.53 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.6 p -59.08 -40.94 86.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 1.0 109.872 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -46.49 90.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.295 -0.878 . . . . 1.0 109.917 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -67.52 -33.35 74.9 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.063 -1.023 . . . . 1.0 110.25 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -44.71 79.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.001 -1.062 . . . . 1.0 109.706 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.66 -31.63 72.54 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 1.0 109.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -63.99 -38.59 91.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.151 -1.055 . . . . 1.0 108.151 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.509 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.1 mtp -69.61 -37.45 76.86 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.481 -0.933 . . . . 1.0 108.481 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -59.63 -50.66 72.99 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.571 0.7 . . . . 1.0 109.381 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.41 -41.83 96.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.614 -0.679 . . . . 1.0 109.713 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.54 -36.86 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 1.0 109.585 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-30 -57.62 -50.92 71.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 1.0 109.873 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.54 -32.51 74.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 1.0 109.627 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . 0.439 HG22 ' CD2' ' A' ' 656' ' ' HIS . 90.9 m -58.29 -40.83 83.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 1.0 109.186 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.4 -42.48 87.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.277 -0.889 . . . . 1.0 109.327 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.565 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 87.8 t -62.14 -44.11 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.371 -0.831 . . . . 1.0 110.148 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 659' ' ' VAL . 74.8 t -65.43 -47.18 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 120.782 -1.199 . . . . 1.0 108.469 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . 0.439 ' CD2' HG22 ' A' ' 652' ' ' THR . 7.8 m-70 -58.73 -38.75 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.332 -0.988 . . . . 1.0 108.332 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.13 -45.12 26.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.0 109.545 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -56.07 -37.88 69.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -1.19 . . . . 1.0 109.468 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 655' ' ' VAL . 79.3 t -65.83 -36.66 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 1.0 109.249 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 660' ' ' LEU . 2.1 tt -58.84 -35.51 73.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.0 109.273 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.142 -0.974 . . . . 1.0 109.429 -179.697 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.257 0.551 . . . . 1.0 109.558 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.19 -24.85 63.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.878 . . . . 1.0 109.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -63.88 -49.26 73.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.282 -0.886 . . . . 1.0 109.619 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -56.99 -36.79 70.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 1.0 109.821 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 678' ' ' VAL . 84.9 mt -61.51 -34.76 76.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.163 -0.96 . . . . 1.0 109.308 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -60.72 -35.57 76.66 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.43 -1.322 . . . . 1.0 107.43 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -71.03 -43.03 68.73 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.5 -46.97 62.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.089 -1.007 . . . . 1.0 108.857 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 674' ' ' LEU . 75.0 t -56.82 -30.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.11 61.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 1.0 109.15 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 11.4 m -64.43 -39.48 93.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.258 -0.901 . . . . 1.0 109.26 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.34 -33.86 68.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.51 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -73.83 -27.17 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.701 -1.249 . . . . 1.0 109.613 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.93 76.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.504 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -60.69 -54.29 56.03 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.246 -0.909 . . . . 1.0 112.354 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.566 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_endo -62.49 -42.72 25.58 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 121.771 1.647 . . . . 1.0 112.985 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.18 -42.68 93.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.056 -1.027 . . . . 1.0 108.869 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -73.43 -35.2 65.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.422 -0.799 . . . . 1.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.503 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -61.1 -42.14 97.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.871 -1.143 . . . . 1.0 109.019 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.17 -37.95 88.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.427 -0.796 . . . . 1.0 109.987 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.98 -41.87 97.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.107 -0.996 . . . . 1.0 109.971 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.75 -34.62 76.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.954 -1.091 . . . . 1.0 108.859 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.32 69.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.368 -0.832 . . . . 1.0 109.009 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 16.5 m -68.85 -41.18 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 1.0 109.334 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.3 m-30 -65.22 -33.01 74.98 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.43 -37.46 80.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.15 -1.056 . . . . 1.0 108.15 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 4.7 t60 -66.12 -46.76 76.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.515 -0.74 . . . . 1.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . 0.49 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -54.56 -28.43 45.14 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.045 -1.222 . . . . 1.0 110.045 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.8 OUTLIER -109.24 3.07 21.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.922 -1.34 . . . . 1.0 109.597 -179.455 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -59.91 -23.83 63.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.0 109.509 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 18.9 m -69.63 -50.09 47.6 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.125 -0.984 . . . . 1.0 109.325 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.5 tp -103.48 -8.08 20.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 110.591 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 698' ' ' ASN . 32.8 tp -74.08 -27.31 60.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.777 -1.202 . . . . 1.0 108.657 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' A' ' 704' ' ' ARG . 31.7 m-85 -128.88 -63.54 0.96 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.335 -0.853 . . . . 1.0 109.496 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.539 ' C ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.239 -0.913 . . . . 1.0 109.303 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 . . . . . 0 N--CA 1.496 1.848 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.906 HD13 ' HB1' ' A' ' 699' ' ' ALA . 21.3 tp -57.41 -38.02 73.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.903 . . . . 1.0 109.122 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.39 -42.56 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.495 -0.753 . . . . 1.0 110.015 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.94 -44.81 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.723 -1.235 . . . . 1.0 107.892 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -62.2 -42.24 99.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.04 -0.726 . . . . 1.0 109.04 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.66 -42.44 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.069 -1.02 . . . . 1.0 108.985 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.65 -49.05 57.45 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.298 -0.876 . . . . 1.0 109.149 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 564' ' ' LEU . 32.3 m -59.71 -46.11 90.07 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.09 -1.006 . . . . 1.0 110.171 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.9 tm? -57.09 -48.77 77.8 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.067 -1.021 . . . . 1.0 110.034 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.402 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.18 -44.3 95.16 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.258 -0.901 . . . . 1.0 109.845 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.4 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 19.6 mtp-105 -68.64 -38.02 80.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.131 -0.981 . . . . 1.0 109.463 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.3 mp -71.05 -37.76 72.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.849 . . . . 1.0 109.175 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -62.52 -31.45 72.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 1.0 110.114 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -78.37 -44.15 25.75 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.144 -0.973 . . . . 1.0 108.787 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.782 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.5 -32.0 82.76 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.411 -1.475 . . . . 1.0 109.411 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 564' ' ' LEU . 92.3 t -72.11 -50.14 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.104 -1.233 . . . . 1.0 108.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.7 t -67.62 -38.94 84.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.278 -0.889 . . . . 1.0 108.963 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 93.6 m -62.48 -43.98 97.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.453 -0.78 . . . . 1.0 110.117 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 567' ' ' GLY . 67.4 p -68.31 -32.85 73.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.0 109.832 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 568' ' ' VAL . 70.1 t -62.8 -39.47 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.922 . . . . 1.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.42 81.45 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.052 -1.03 . . . . 1.0 108.303 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -58.85 -49.02 79.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.615 -0.678 . . . . 1.0 109.53 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 579' ' ' VAL . 60.8 tp -56.77 -45.53 82.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.408 -0.808 . . . . 1.0 109.505 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.55 -41.12 69.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 1.0 109.295 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -57.7 -41.32 81.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.268 -0.895 . . . . 1.0 108.894 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.12 -37.23 85.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.387 -0.821 . . . . 1.0 109.303 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 575' ' ' LEU . 72.0 t . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.28 -0.888 . . . . 1.0 109.424 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 80.4 t . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.16 0.505 . . . . 1.0 109.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -54.45 -48.28 71.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 1.0 109.338 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -58.56 -32.71 69.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 1.0 109.445 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.51 -39.92 51.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.288 -0.882 . . . . 1.0 109.317 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -60.68 -37.66 82.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.459 -0.776 . . . . 1.0 109.68 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.41 76.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 1.0 110.091 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.3 63.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.225 -0.922 . . . . 1.0 110.227 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 610' ' ' HIS . 4.4 p -70.05 -37.77 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.97 -1.081 . . . . 1.0 109.737 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -63.38 -41.87 98.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 1.0 110.091 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.26 95.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 1.0 110.073 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.2 -45.77 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.99 -1.069 . . . . 1.0 109.146 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.728 ' CD2' HG22 ' A' ' 606' ' ' VAL . 15.6 m-70 -60.79 -37.28 81.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 1.0 109.302 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -68.15 -45.87 68.67 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 110.128 -1.189 . . . . 1.0 110.128 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.22 82.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.063 -1.257 . . . . 1.0 109.69 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CZ ' ' A' ' 650' ' ' TYR . 45.5 t -67.26 -44.25 87.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.129 -0.982 . . . . 1.0 108.75 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -53.99 -35.96 62.4 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.507 -0.923 . . . . 1.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.72 -35.67 73.04 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.69 -34.55 74.1 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.717 -0.846 . . . . 1.0 108.717 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 646' ' ' MET . 83.0 mt -75.2 -46.36 34.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.776 -0.578 . . . . 1.0 111.003 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -72.48 -46.76 53.3 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.74 -1.225 . . . . 1.0 110.95 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.738 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -68.15 -41.24 81.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.78 -1.2 . . . . 1.0 109.027 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.738 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.68 -40.27 95.1 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -58.6 -37.35 75.64 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.368 -0.975 . . . . 1.0 108.368 178.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 25.0 p -60.66 -37.67 82.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.541 -0.911 . . . . 1.0 108.541 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.32 91.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.39 -0.819 . . . . 1.0 109.192 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.02 -42.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 1.0 109.078 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.292 -0.88 . . . . 1.0 109.77 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.038 0.446 . . . . 1.0 110.084 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.39 -44.52 80.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.122 -0.986 . . . . 1.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.79 -46.07 91.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.056 -1.028 . . . . 1.0 108.385 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.08 77.62 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.17 91.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.6 -0.688 . . . . 1.0 109.828 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 1.0 110.328 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.0 m -64.94 -41.19 95.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.247 -0.908 . . . . 1.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 641' ' ' ARG . 0.2 OUTLIER -61.97 -46.02 91.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.807 -1.183 . . . . 1.0 110.256 -179.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.521 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 89.6 mt-30 -76.59 -38.58 54.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.029 -1.044 . . . . 1.0 110.217 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.35 -48.28 65.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.012 -1.055 . . . . 1.0 110.036 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.21 -34.99 78.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 1.0 109.293 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 649' ' ' VAL . 13.4 ttpt -61.59 -36.65 81.28 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.591 -1.262 . . . . 1.0 107.591 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.491 ' CE ' HD21 ' A' ' 617' ' ' LEU . 0.6 OUTLIER -68.88 -32.45 72.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.375 -0.972 . . . . 1.0 108.375 179.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -74.42 -44.59 51.21 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.592 0.71 . . . . 1.0 109.224 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 652' ' ' THR . 42.0 t0 -60.87 -43.27 98.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 650' ' ' TYR . 31.2 m -67.95 -43.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.317 -0.864 . . . . 1.0 109.822 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.723 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.1 OUTLIER -61.16 -35.53 77.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.925 -1.11 . . . . 1.0 109.937 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.54 -33.62 71.35 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.911 -1.118 . . . . 1.0 109.424 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 648' ' ' ASP . 71.6 p -73.16 -35.76 66.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 1.0 109.058 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.55 -34.51 72.32 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.393 -0.817 . . . . 1.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.2 t -60.57 -44.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.18 -0.95 . . . . 1.0 109.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 t -68.7 -43.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.923 -1.111 . . . . 1.0 108.722 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 652' ' ' THR . 53.2 m-70 -63.59 -40.98 98.35 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.87 -38.71 40.88 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 7.1 mm-40 -55.82 -29.41 59.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.599 -1.53 . . . . 1.0 109.407 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.9 t -63.11 -39.49 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.308 -0.87 . . . . 1.0 109.639 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.25 -36.54 73.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.134 -0.979 . . . . 1.0 109.721 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.229 -0.92 . . . . 1.0 109.655 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . 0.733 HG23 ' H ' ' A' ' 672' ' ' ASP . 12.4 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.377 0.608 . . . . 1.0 110.2 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 88.4 mt -51.98 -24.21 6.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 1.0 109.62 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . 0.733 ' H ' HG23 ' A' ' 670' ' ' THR . 20.0 t70 -67.99 -46.09 72.3 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.304 -0.872 . . . . 1.0 108.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.1 -36.02 72.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.58 -0.7 . . . . 1.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 674' ' ' LEU . 4.2 mm? -64.37 -34.41 78.1 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.328 -0.858 . . . . 1.0 108.975 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.79 -34.65 74.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.906 -1.516 . . . . 1.0 106.906 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -71.59 -43.23 66.63 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.06 -46.69 61.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 1.0 108.561 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.97 -32.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.52 68.05 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.7 m -65.95 -35.65 81.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.284 -0.885 . . . . 1.0 109.189 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.641 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -59.22 -35.52 73.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.848 . . . . 1.0 110.546 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -77.77 -29.24 50.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.773 -1.205 . . . . 1.0 110.221 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.7 -47.34 63.54 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.04 -1.037 . . . . 1.0 111.527 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -57.54 -51.82 78.9 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 120.932 -1.105 . . . . 1.0 112.43 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.641 ' CD ' ' O ' ' A' ' 681' ' ' SER . 14.8 Cg_endo -59.12 -42.53 50.04 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 121.834 1.689 . . . . 1.0 112.634 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -74.9 -29.5 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.748 . . . . 1.0 109.137 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.01 90.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 1.0 108.765 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -64.67 -42.77 95.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.465 -0.772 . . . . 1.0 109.149 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -67.6 -40.65 84.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.9 . . . . 1.0 108.811 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.23 -36.52 77.9 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.676 -0.861 . . . . 1.0 108.676 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.515 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.19 -37.61 77.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 1.0 109.514 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 27.6 t -64.98 -37.72 88.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.958 . . . . 1.0 109.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.521 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 2.7 m-85 -66.25 -39.06 89.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 1.0 109.23 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -60.82 -37.8 83.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.092 -1.005 . . . . 1.0 108.696 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 50.5 m80 -66.08 -44.08 85.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 1.0 110.501 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -61.89 -24.6 64.86 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.924 -1.27 . . . . 1.0 109.924 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.637 ' ND2' ' N ' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.38 4.77 13.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -1.181 . . . . 1.0 109.702 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.906 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -50.75 -39.29 51.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.122 -0.986 . . . . 1.0 109.162 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.0 t -50.79 -38.53 48.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.396 -0.815 . . . . 1.0 110.417 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 701' ' ' LEU . 28.6 tp -89.57 -41.95 11.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.953 -1.092 . . . . 1.0 111.105 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 59.5 mt -52.84 -34.08 52.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.669 -1.27 . . . . 1.0 108.253 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 4.7 m-85 -123.57 -72.8 0.66 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.503 -0.748 . . . . 1.0 109.272 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 29.0 ttt-85 . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.05 . . . . 1.0 109.789 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 49.2 mp0 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.58 -36.59 71.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.267 -0.896 . . . . 1.0 110.178 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.11 -39.55 92.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.986 -1.072 . . . . 1.0 110.395 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.48 -43.9 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 1.0 107.72 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.99 97.89 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.321 -0.992 . . . . 1.0 108.321 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.4 -42.1 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.46 -0.775 . . . . 1.0 109.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.4 -49.22 44.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 1.0 109.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 23.9 m -60.9 -43.47 98.46 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.123 -0.986 . . . . 1.0 109.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.6 tm? -56.01 -48.91 75.04 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.055 -1.028 . . . . 1.0 108.591 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.43 -45.98 91.67 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.534 -0.729 . . . . 1.0 109.074 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -62.56 -37.65 86.99 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.36 -0.838 . . . . 1.0 108.926 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 616' ' ' LEU . 3.3 mp -68.51 -38.2 80.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.503 -0.748 . . . . 1.0 109.664 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -64.07 -28.4 69.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 1.0 110.026 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.49 -47.67 16.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.125 -0.984 . . . . 1.0 108.727 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.692 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.28 -34.06 88.93 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.426 -1.47 . . . . 1.0 109.426 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 564' ' ' LEU . 77.2 t -72.19 -49.73 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -1.19 . . . . 1.0 108.674 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 26.5 t -66.17 -40.48 90.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0 109.084 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 65.9 m -63.24 -42.51 99.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.495 -0.753 . . . . 1.0 110.28 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 567' ' ' GLY . 41.1 p -68.2 -37.7 81.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.15 -0.969 . . . . 1.0 109.663 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.419 HG13 ' OG ' ' A' ' 681' ' ' SER . 42.7 t -70.21 -40.76 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.862 . . . . 1.0 109.144 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.94 84.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 1.0 109.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . 0.77 ' NE2' HD11 ' A' ' 578' ' ' LEU . 36.3 t60 -58.9 -51.76 68.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 1.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.48 -45.7 84.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 1.0 109.657 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.65 -29.61 70.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0 109.487 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.2 -35.43 71.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.171 -0.956 . . . . 1.0 109.306 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.77 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.73 -35.24 79.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 1.0 109.744 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.094 -1.004 . . . . 1.0 109.645 -179.75 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.212 0.53 . . . . 1.0 109.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -57.29 -43.44 83.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.275 -0.89 . . . . 1.0 108.991 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -60.32 -42.85 96.46 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.422 -0.799 . . . . 1.0 109.264 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 -41.71 43.32 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.382 -0.824 . . . . 1.0 109.421 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -59.86 -39.73 86.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -0.864 . . . . 1.0 109.701 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.15 69.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.223 -0.923 . . . . 1.0 109.769 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.33 70.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 1.0 110.08 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.462 HG21 ' HA3' ' A' ' 657' ' ' GLY . 9.7 p -69.5 -36.06 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.972 -1.08 . . . . 1.0 109.723 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.88 77.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.962 . . . . 1.0 109.957 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.6 -50.71 41.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.0 110.103 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.566 HG23 ' OG1' ' A' ' 571' ' ' THR . 1.2 p -60.2 -41.13 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 1.0 109.382 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 9.0 m80 -61.23 -38.08 85.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 1.0 109.39 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -72.42 -43.65 44.74 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.591 -1.404 . . . . 1.0 109.591 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.42 73.44 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.074 -1.251 . . . . 1.0 109.307 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.809 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.6 p -67.01 -45.38 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 1.0 109.001 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.579 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 51.5 t-80 -53.79 -30.76 46.23 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 1.0 108.693 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -27.05 64.45 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.9 tt -70.56 -33.01 70.64 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.597 -1.26 . . . . 1.0 107.597 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.9 OUTLIER -77.08 -37.82 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -72.16 -50.63 26.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.156 -0.965 . . . . 1.0 109.796 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.732 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -65.45 -39.69 92.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 1.0 109.297 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.732 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.47 -39.42 91.96 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.572 -1.27 . . . . 1.0 107.572 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -35.87 78.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.3 t -59.42 -38.82 81.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 108.998 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 1.0 110.112 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.74 -39.27 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.354 -0.841 . . . . 1.0 109.969 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.909 -1.119 . . . . 1.0 109.184 -179.778 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.583 HD22 ' OD1' ' A' ' 698' ' ' ASN . 11.8 mt -57.83 -45.63 85.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 1.0 109.566 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -63.84 -42.92 97.49 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.32 76.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.745 -0.835 . . . . 1.0 108.745 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -47.05 79.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.427 -0.796 . . . . 1.0 109.554 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.03 -46.88 79.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.246 -0.909 . . . . 1.0 109.605 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 94.9 p -63.74 -36.09 82.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.23 -0.919 . . . . 1.0 109.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.56 -47.45 85.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.272 -0.893 . . . . 1.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 90.5 mt-30 -71.88 -41.6 67.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.295 -0.878 . . . . 1.0 110.014 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 643' ' ' LEU . 3.3 tt -54.14 -48.27 71.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.259 -0.901 . . . . 1.0 109.816 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -60.04 -32.2 70.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.961 . . . . 1.0 108.901 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttmt -62.46 -36.85 83.75 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 44.8 mmm -69.83 -38.27 76.47 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.478 ' OE2' HD23 ' A' ' 617' ' ' LEU . 62.6 mm-40 -60.74 -50.14 74.67 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 1.0 108.739 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.69 -42.44 86.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.766 -0.584 . . . . 1.0 109.812 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 645' ' ' LYS . 74.7 t -70.06 -40.03 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 1.0 110.068 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -58.17 -41.59 84.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 1.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.72 -32.05 72.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.094 -1.004 . . . . 1.0 109.332 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 59.4 m -57.8 -41.91 83.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.25 -38.67 85.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.344 -0.848 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.87 -43.73 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.075 -1.016 . . . . 1.0 109.195 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.44 -47.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -38.34 78.22 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.462 ' HA3' HG21 ' A' ' 606' ' ' VAL . . . -73.5 -47.24 22.46 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.429 -1.468 . . . . 1.0 109.429 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -57.0 -37.41 71.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.165 -1.197 . . . . 1.0 109.64 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.35 -31.35 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 1.0 109.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.78 -31.75 62.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 1.0 109.373 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.0 109.574 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.452 0.644 . . . . 1.0 110.12 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . 0.812 ' H ' HD23 ' A' ' 671' ' ' LEU . 0.1 OUTLIER -55.26 -24.11 26.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 1.0 109.783 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -62.42 -47.79 82.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.225 -0.922 . . . . 1.0 109.128 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.59 -34.17 66.92 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.327 -0.858 . . . . 1.0 109.394 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.6 -39.45 88.18 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.139 -0.976 . . . . 1.0 109.392 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.67 -35.92 77.44 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.276 -1.379 . . . . 1.0 107.276 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.33 -38.51 63.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 677' ' ' LEU . 2.9 tm? -69.12 -49.86 53.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 1.0 108.476 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . 0.407 ' N ' HD13 ' A' ' 677' ' ' LEU . 53.9 t -55.56 -30.88 27.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 107.962 -1.125 . . . . 1.0 107.962 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.7 65.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.533 -0.729 . . . . 1.0 109.16 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 56.6 m -63.56 -40.44 97.01 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.151 -0.968 . . . . 1.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.595 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 8.4 t -57.35 -33.24 67.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.34 -0.85 . . . . 1.0 111.297 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -28.26 60.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.287 -1.508 . . . . 1.0 110.128 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.61 -39.07 74.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 1.0 111.242 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -60.91 -53.07 67.64 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.019 -1.051 . . . . 1.0 111.991 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.595 ' CD ' ' O ' ' A' ' 681' ' ' SER . 20.1 Cg_endo -61.78 -42.9 28.79 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.95 1.766 . . . . 1.0 112.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.86 -43.09 80.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.0 108.624 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . 0.476 ' OD2' ' SD ' ' A' ' 646' ' ' MET . 51.4 t0 -72.3 -34.8 68.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 1.0 109.641 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.47 93.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.125 -0.984 . . . . 1.0 108.728 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -66.89 -41.48 87.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.559 -0.713 . . . . 1.0 109.383 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.76 -43.3 84.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.269 -0.894 . . . . 1.0 108.822 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.04 -33.21 68.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -66.85 -32.11 73.16 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 29.0 m -67.23 -42.19 84.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -0.829 . . . . 1.0 109.311 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.0 m-85 -65.1 -37.8 88.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 1.0 108.852 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 699' ' ' ALA . 12.4 mt -64.02 -36.44 84.01 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.201 -0.937 . . . . 1.0 108.539 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -68.86 -48.64 62.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.564 -0.71 . . . . 1.0 110.189 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -57.17 -25.43 54.14 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.898 -1.281 . . . . 1.0 109.898 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.583 ' OD1' HD22 ' A' ' 635' ' ' LEU . 0.4 OUTLIER -118.1 2.21 12.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -1.186 . . . . 1.0 109.502 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -53.53 -36.07 61.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 1.0 109.756 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 90.4 p -50.92 -35.92 35.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 1.0 109.772 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.2 mp -87.23 -43.12 12.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.077 -1.014 . . . . 1.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.14 -36.45 40.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.951 -1.093 . . . . 1.0 108.93 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.3 m-85 -118.32 -70.8 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 32.5 ttt180 . . . . . 0 N--CA 1.485 1.317 0 O-C-N 121.651 -0.656 . . . . 1.0 109.454 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.914 -0.773 . . . . 1.0 108.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 554' ' ' LEU . 6.3 mp -56.33 -41.45 76.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.344 -0.848 . . . . 1.0 110.465 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.65 -44.88 96.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.115 -0.99 . . . . 1.0 110.702 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 99.6 t -65.73 -45.47 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.787 -1.196 . . . . 1.0 107.955 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -63.93 -40.66 96.97 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.576 -0.702 . . . . 1.0 109.32 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.44 -43.71 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 1.0 109.239 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.56 -48.69 46.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.181 -0.949 . . . . 1.0 109.354 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.8 m -59.98 -42.69 94.73 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.062 -1.024 . . . . 1.0 110.336 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 561' ' ' LEU . 7.7 tt -58.67 -48.37 81.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.957 -1.089 . . . . 1.0 109.985 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.6 83.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 1.0 110.638 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -61.44 -40.72 95.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 1.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 615' ' ' GLU . 3.9 mp -72.05 -37.66 69.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.075 -1.016 . . . . 1.0 109.302 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.402 HE21 HD11 ' A' ' 616' ' ' LEU . 3.1 mm-40 -60.9 -30.27 70.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.428 -0.795 . . . . 1.0 110.808 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -77.53 -41.44 39.17 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.865 -1.147 . . . . 1.0 109.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 571' ' ' THR . . . -58.77 -33.4 72.79 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.167 -1.573 . . . . 1.0 109.167 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 572' ' ' VAL . 92.5 t -70.07 -48.58 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.101 -1.235 . . . . 1.0 108.726 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.5 p -66.02 -42.89 89.07 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.368 -0.833 . . . . 1.0 109.028 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.1 m -62.27 -42.48 99.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.445 -0.784 . . . . 1.0 110.207 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 567' ' ' GLY . 51.6 p -68.04 -33.28 74.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.074 -1.016 . . . . 1.0 109.75 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.751 HG13 ' OG ' ' A' ' 681' ' ' SER . 68.8 t -66.1 -38.53 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.162 -0.962 . . . . 1.0 109.247 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.53 91.82 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.164 -0.96 . . . . 1.0 108.467 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -58.81 -50.66 73.13 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.703 -0.623 . . . . 1.0 109.594 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 575' ' ' LEU . 6.7 tt -57.89 -48.97 78.29 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.432 -0.792 . . . . 1.0 109.663 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.79 -41.02 72.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 1.0 109.62 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.71 -41.6 95.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 1.0 109.524 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.07 -42.7 84.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 1.0 109.665 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 1.0 109.491 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.234 0.54 . . . . 1.0 109.665 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -58.76 -44.7 90.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.189 -0.944 . . . . 1.0 109.459 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.25 -45.72 92.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.316 -0.865 . . . . 1.0 109.121 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.16 -43.25 58.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.416 -0.803 . . . . 1.0 109.008 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . 0.437 ' NZ ' ' OD2' ' A' ' 661' ' ' ASP . 72.8 tttt -61.1 -38.53 86.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.384 -0.823 . . . . 1.0 109.443 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.76 76.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 1.0 109.843 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.19 80.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.0 110.258 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.52 HG22 ' CD2' ' A' ' 610' ' ' HIS . 8.0 p -70.09 -36.49 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 1.0 109.843 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -65.96 -33.57 76.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.157 -0.965 . . . . 1.0 109.742 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.46 -51.4 43.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 1.0 110.342 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.436 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.7 OUTLIER -59.53 -38.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 1.0 109.713 -179.139 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 6.4 m-70 -65.45 -30.08 70.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 1.0 109.133 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -75.55 -46.01 16.24 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 110.078 -1.209 . . . . 1.0 110.078 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.67 74.33 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.951 -1.323 . . . . 1.0 109.554 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.726 HG22 ' CE2' ' A' ' 650' ' ' TYR . 3.0 p -63.93 -43.58 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.0 109.189 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.551 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 13.7 m80 -55.33 -30.39 60.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.926 . . . . 1.0 108.933 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 564' ' ' LEU . 73.5 mm-40 -63.91 -33.62 76.12 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.918 -1.142 . . . . 1.0 107.918 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.402 HD11 HE21 ' A' ' 565' ' ' GLN . 0.8 OUTLIER -70.79 -41.36 71.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.782 HD21 ' CD ' ' A' ' 647' ' ' GLU . 28.7 tp -76.99 -37.91 54.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.933 -0.479 . . . . 1.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.12 -46.57 56.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.88 -1.137 . . . . 1.0 111.706 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.3 OUTLIER -65.25 -45.3 85.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.481 -1.387 . . . . 1.0 108.959 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.669 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.305 -0.872 . . . . 1.0 109.814 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -63.19 -35.86 81.72 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.57 -1.331 . . . . 1.0 108.362 178.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 29.3 p -60.09 -33.41 72.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.693 -1.225 . . . . 1.0 107.693 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 620' ' ' ALA . . . -63.86 -36.55 84.28 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.168 -0.679 . . . . 1.0 109.168 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.73 -41.76 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.0 109.628 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.084 0.468 . . . . 1.0 109.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.786 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -59.44 -49.38 78.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.875 . . . . 1.0 109.649 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 640' ' ' SER . 39.2 t-80 -59.26 -38.18 79.44 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . 0.901 ' HB1' HH21 ' A' ' 641' ' ' ARG . . . -66.11 -51.29 59.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.431 -0.951 . . . . 1.0 108.431 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -60.5 -39.57 88.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.507 -0.745 . . . . 1.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 639' ' ' LEU . 1.8 tt -79.04 -46.21 18.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 1.0 109.649 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 636' ' ' HIS . 66.3 m -58.9 -46.46 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 1.0 109.796 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . 0.901 HH21 ' HB1' ' A' ' 637' ' ' ALA . 19.5 ptp180 -64.37 -41.67 96.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.282 -0.886 . . . . 1.0 110.378 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.501 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 61.1 tt0 -73.97 -30.43 62.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 1.0 109.981 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.01 -50.62 47.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.374 -0.829 . . . . 1.0 110.25 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.48 -38.31 90.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.205 -0.934 . . . . 1.0 109.276 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.97 -36.23 83.73 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.91 -1.145 . . . . 1.0 107.91 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.757 ' SD ' HD12 ' A' ' 691' ' ' LEU . 2.2 ttm -68.11 -38.78 82.64 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.782 ' CD ' HD21 ' A' ' 617' ' ' LEU . 61.9 mm-40 -60.88 -51.44 69.27 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.718 0.77 . . . . 1.0 109.064 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -57.73 -39.83 78.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.586 -0.696 . . . . 1.0 109.646 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 645' ' ' LYS . 78.0 t -71.61 -42.97 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.42 -0.8 . . . . 1.0 110.33 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.726 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.1 m-85 -58.22 -41.74 84.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.93 -1.106 . . . . 1.0 109.943 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.08 -32.7 70.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 1.0 109.104 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 71.2 m -58.6 -42.04 87.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.603 HD22 ' SG ' ' A' ' 680' ' ' CYS . 63.3 mt -66.52 -35.8 81.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.383 -0.823 . . . . 1.0 109.546 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 658' ' ' GLN . 91.6 t -60.61 -43.82 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.228 -0.92 . . . . 1.0 109.385 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.81 -46.1 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 1.0 108.474 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.58 -38.5 87.77 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 107.758 -1.201 . . . . 1.0 107.758 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.42 -39.0 43.79 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.5 mm-40 -54.49 -27.01 34.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -1.198 . . . . 1.0 109.615 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 65.1 t -62.16 -38.83 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 1.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.464 HD11 HD12 ' A' ' 677' ' ' LEU . 9.6 mt -71.32 70.8 0.61 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.31 -0.868 . . . . 1.0 108.989 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . 0.437 ' OD2' ' NZ ' ' A' ' 603' ' ' LYS . 55.4 t0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.555 -0.716 . . . . 1.0 109.477 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 672' ' ' ASP . 9.5 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.08 -25.22 20.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 1.0 109.327 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . 0.867 ' H ' HG23 ' A' ' 670' ' ' THR . 55.2 t0 -68.15 -45.55 73.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.249 -0.907 . . . . 1.0 109.264 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.7 -36.64 69.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.924 . . . . 1.0 109.417 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.74 -35.38 80.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 1.0 109.043 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.66 -37.86 79.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -70.74 -39.2 73.46 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.135 -0.691 . . . . 1.0 109.135 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.7 tt -70.52 -48.14 57.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.119 -0.988 . . . . 1.0 108.494 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.04 -31.69 31.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.617 -1.253 . . . . 1.0 107.617 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.86 79.92 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.603 ' SG ' HD22 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -63.29 -41.45 98.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.572 -0.705 . . . . 1.0 109.455 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.751 ' OG ' HG13 ' A' ' 572' ' ' VAL . 12.9 t -57.05 -33.89 67.69 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.392 -0.818 . . . . 1.0 111.244 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -76.75 -30.86 56.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.346 -1.471 . . . . 1.0 109.888 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.37 67.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 1.0 111.492 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.453 HG23 HD11 ' A' ' 653' ' ' LEU . 1.0 OUTLIER -61.83 -49.29 86.56 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 120.838 -1.164 . . . . 1.0 112.208 -176.357 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.646 ' HG3' HG21 ' A' ' 572' ' ' VAL . 16.9 Cg_exo -63.12 -43.38 19.21 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 121.887 1.725 . . . . 1.0 112.205 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 -41.52 84.24 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.188 -0.945 . . . . 1.0 108.665 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.95 -38.7 61.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.584 -0.698 . . . . 1.0 109.858 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.92 99.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.132 -0.98 . . . . 1.0 108.822 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.77 -36.03 82.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.445 -0.784 . . . . 1.0 109.067 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -64.38 -44.31 91.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.331 -0.856 . . . . 1.0 109.01 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.757 HD12 ' SD ' ' A' ' 646' ' ' MET . 1.4 tt -61.39 -35.96 78.94 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 561' ' ' LEU . . . -57.66 -35.87 71.14 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.287 -0.883 . . . . 1.0 108.875 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 67.8 p -70.03 -38.35 75.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 1.0 109.617 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.501 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.48 -39.46 91.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 1.0 108.703 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.599 ' O ' ' N ' ' A' ' 699' ' ' ALA . 0.9 OUTLIER -63.4 -36.33 83.36 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.353 -0.842 . . . . 1.0 108.766 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -70.78 -50.11 39.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.406 -0.809 . . . . 1.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.52 -24.04 59.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.213 -1.555 . . . . 1.0 109.213 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -113.44 -2.22 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -1.033 . . . . 1.0 109.549 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.28 -39.18 56.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 1.0 109.587 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 704' ' ' ARG . 85.6 p -51.6 -37.52 50.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 1.0 109.314 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.23 -41.9 13.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.137 -0.977 . . . . 1.0 110.474 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 639' ' ' LEU . 49.9 mt -56.79 -32.77 66.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.732 -1.23 . . . . 1.0 108.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 8.7 m-85 -120.84 -79.91 0.61 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.447 -0.783 . . . . 1.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 700' ' ' SER . 58.2 ttm-85 . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.775 -1.203 . . . . 1.0 110.022 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.525 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.7 tp -58.15 -42.19 85.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.571 -0.706 . . . . 1.0 109.61 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.5 tt0 -64.8 -47.27 78.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.384 -0.823 . . . . 1.0 109.666 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.96 -45.32 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.451 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -57.22 -36.48 70.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.705 -0.622 . . . . 1.0 109.335 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -44.67 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.952 -1.093 . . . . 1.0 109.319 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 70.3 mm-40 -68.18 -51.04 50.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.23 -0.919 . . . . 1.0 109.48 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.541 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.0 t -59.7 -45.29 92.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 1.0 109.803 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 560' ' ' THR . 7.9 tp -65.98 -35.31 80.24 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.061 -1.024 . . . . 1.0 108.809 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.15 89.75 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.462 -0.774 . . . . 1.0 109.098 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.26 -31.35 69.02 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.895 . . . . 1.0 109.176 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 568' ' ' VAL . 9.4 mp -76.06 -37.91 57.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.837 . . . . 1.0 109.663 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.531 HE21 ' HB2' ' A' ' 692' ' ' ALA . 95.3 mt-30 -58.5 -36.68 74.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 1.0 109.457 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 567' ' ' GLY . 8.9 pt20 -79.98 -46.46 16.63 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.327 -0.858 . . . . 1.0 108.796 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.829 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.68 -34.01 88.79 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 564' ' ' LEU . 71.8 t -71.78 -48.49 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -1.222 . . . . 1.0 108.963 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.9 t -66.97 -38.81 86.77 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 1.0 108.721 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 99.7 m -61.82 -43.21 99.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.62 -0.675 . . . . 1.0 109.98 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 567' ' ' GLY . 82.8 p -67.63 -31.73 71.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 1.0 110.167 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.1 t -64.22 -37.93 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.941 -1.099 . . . . 1.0 109.368 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -62.89 -40.67 98.25 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.15 -51.36 69.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.62 -0.675 . . . . 1.0 109.409 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 8.1 tp -56.48 -46.16 80.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.59 -0.693 . . . . 1.0 109.302 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 572' ' ' VAL . 11.3 mt -69.35 -34.73 75.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.636 -0.665 . . . . 1.0 109.605 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 573' ' ' ALA . 23.1 t70 -64.71 -36.72 85.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.23 -0.919 . . . . 1.0 108.954 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.74 -36.96 83.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.479 -0.763 . . . . 1.0 109.445 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.137 -0.977 . . . . 1.0 109.598 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.227 0.537 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.83 -41.95 78.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 1.0 109.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.271 -0.893 . . . . 1.0 109.293 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 36.6 tp -70.15 -41.86 73.29 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.439 -0.788 . . . . 1.0 109.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.96 -34.64 72.01 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.0 109.696 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.08 73.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.376 -0.828 . . . . 1.0 109.918 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.02 65.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.133 -0.979 . . . . 1.0 110.172 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.624 HG22 ' CD2' ' A' ' 610' ' ' HIS . 12.7 p -70.06 -36.95 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 1.0 109.677 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -66.5 -31.32 71.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.956 . . . . 1.0 109.554 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.36 -52.24 35.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.199 -0.938 . . . . 1.0 110.033 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.614 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.89 -42.74 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.14 -0.975 . . . . 1.0 109.753 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.673 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 5.0 m-70 -64.83 -39.99 94.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.009 -1.057 . . . . 1.0 109.241 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.54 96.47 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.34 71.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.819 -1.401 . . . . 1.0 108.776 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 650' ' ' TYR . 99.1 t -64.52 -47.35 89.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -53.8 -34.93 60.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.42 -0.8 . . . . 1.0 108.898 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.5 -32.63 72.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.884 -1.135 . . . . 1.0 108.307 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -42.86 71.19 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -40.91 95.25 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.125 -0.984 . . . . 1.0 108.987 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.06 -45.33 50.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.447 -0.783 . . . . 1.0 109.865 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.13 -46.68 87.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 1.0 108.857 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.61 85.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.438 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.9 -42.9 89.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.661 -0.65 . . . . 1.0 109.527 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.5 t -58.15 -43.87 87.59 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 1.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.89 73.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 1.0 109.408 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.19 -42.98 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 1.0 109.641 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.94 . . . . 1.0 109.673 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.34 -45.1 88.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.0 109.293 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.19 -44.61 91.47 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.22 -46.95 75.94 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -44.66 79.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.52 -0.737 . . . . 1.0 109.457 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.55 -46.4 89.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.943 . . . . 1.0 109.526 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.8 t -61.52 -37.35 83.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 1.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -59.86 -46.43 89.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.295 -0.878 . . . . 1.0 110.63 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.53 HE22 ' HB2' ' A' ' 694' ' ' PHE . 7.7 pt20 -71.22 -26.45 62.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.925 -1.109 . . . . 1.0 109.889 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -45.41 43.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 1.0 110.08 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -64.63 -41.81 95.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 1.0 109.581 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -65.88 -31.12 71.87 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.185 -1.042 . . . . 1.0 108.185 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.537 ' HG3' HD11 ' A' ' 691' ' ' LEU . 0.0 OUTLIER -68.42 -36.52 79.2 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.713 -0.847 . . . . 1.0 108.713 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.6 -50.84 69.68 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.232 -1.025 . . . . 1.0 108.232 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.01 -44.76 72.12 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.967 -0.458 . . . . 1.0 109.925 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 18.6 t -66.0 -42.65 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.288 -0.882 . . . . 1.0 110.024 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.753 ' O ' HG23 ' A' ' 654' ' ' VAL . 40.8 t80 -61.47 -34.55 75.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.384 -0.823 . . . . 1.0 110.765 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -78.19 -30.93 49.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 1.0 109.865 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.0 m -57.88 -49.04 78.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.0 . . . . 1.0 109.321 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 650' ' ' TYR . 2.0 pp -70.58 -33.91 71.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 1.0 109.334 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 650' ' ' TYR . 84.8 t -59.85 -43.73 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.327 -0.858 . . . . 1.0 109.361 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -66.03 -39.22 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 1.0 108.394 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -64.61 -38.94 92.74 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.816 -1.179 . . . . 1.0 107.816 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.76 -48.53 16.7 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -56.42 -25.68 51.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -1.189 . . . . 1.0 109.536 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 655' ' ' VAL . 49.9 t -63.87 -36.03 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.227 -0.921 . . . . 1.0 109.674 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.7 pp -51.59 -28.87 15.34 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.296 -0.878 . . . . 1.0 109.489 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 1.0 109.478 179.732 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.212 0.529 . . . . 1.0 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.39 -24.2 18.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 1.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -65.93 -46.7 77.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -0.929 . . . . 1.0 109.142 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.38 -37.03 72.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.4 -0.813 . . . . 1.0 109.577 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.9 -37.9 88.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.21 -0.932 . . . . 1.0 109.437 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -59.06 -35.52 73.48 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -71.42 -41.97 68.88 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' ' 677' ' ' LEU . 6.3 tt -70.4 -49.3 50.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 1.0 108.401 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' ' 674' ' ' LEU . 52.9 t -57.54 -31.52 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.058 -1.09 . . . . 1.0 108.058 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.88 -42.86 84.86 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.898 -0.779 . . . . 1.0 108.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.15 -36.43 83.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.264 -0.898 . . . . 1.0 109.359 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 15.6 t -56.71 -35.69 68.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.269 -0.894 . . . . 1.0 110.483 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -78.95 -34.97 43.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.748 -1.22 . . . . 1.0 109.878 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.28 64.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.922 . . . . 1.0 110.936 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 613' ' ' VAL . 2.5 t -57.39 -53.89 60.68 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.004 -1.06 . . . . 1.0 112.249 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 35.0 Cg_endo -65.51 -38.81 23.95 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 121.896 1.731 . . . . 1.0 112.788 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -60.01 -41.98 93.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.004 -1.06 . . . . 1.0 108.183 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -74.73 -32.04 62.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.524 -0.735 . . . . 1.0 109.278 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.46 91.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 1.0 108.493 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -65.99 -37.2 85.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.51 -0.744 . . . . 1.0 109.006 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -59.42 -42.01 90.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.326 -0.858 . . . . 1.0 108.79 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 695' ' ' LEU . 79.7 mt -58.2 -34.61 70.56 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.531 ' HB2' HE21 ' A' ' 565' ' ' GLN . . . -61.45 -35.33 77.3 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.0 m -71.25 -45.69 62.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.318 -0.864 . . . . 1.0 109.302 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.53 ' HB2' HE22 ' A' ' 642' ' ' GLN . 2.9 m-85 -64.82 -36.83 85.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 1.0 108.796 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 691' ' ' LEU . 5.7 mp -60.72 -37.23 81.02 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -64.36 -47.22 80.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.567 -0.708 . . . . 1.0 109.496 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.83 -23.03 60.7 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.947 -1.661 . . . . 1.0 108.947 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.644 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.7 OUTLIER -107.5 -0.97 21.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.402 -1.058 . . . . 1.0 109.638 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -57.91 -26.99 62.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 1.0 109.368 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 704' ' ' ARG . 27.7 t -64.99 -50.52 65.99 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.2 -0.938 . . . . 1.0 109.571 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 -10.94 17.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.157 -0.965 . . . . 1.0 111.012 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 698' ' ' ASN . 58.3 tp -67.23 -29.94 69.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.634 -1.292 . . . . 1.0 108.511 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 557' ' ' ALA . 62.4 m-85 -118.06 -84.13 0.65 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -0.84 . . . . 1.0 109.531 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 700' ' ' SER . 76.6 mtp180 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.359 -0.838 . . . . 1.0 110.075 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -63.89 -34.31 77.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 1.0 109.721 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.1 mt-10 -65.1 -46.42 81.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 1.0 110.034 -178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.543 ' O ' ' OG1' ' A' ' 560' ' ' THR . 49.8 t -66.84 -47.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.782 -1.199 . . . . 1.0 107.847 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.62 -35.3 68.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.633 -0.667 . . . . 1.0 109.777 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.9 -43.85 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.786 -1.196 . . . . 1.0 109.389 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.4 OUTLIER -73.7 -44.73 55.69 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.243 -0.911 . . . . 1.0 109.916 -179.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.73 -47.12 86.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.978 -1.076 . . . . 1.0 110.42 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -71.19 -35.46 71.57 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.792 -1.193 . . . . 1.0 109.381 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.08 89.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 1.0 109.69 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -66.58 -34.18 77.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.074 -1.016 . . . . 1.0 108.906 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.2 mp -67.99 -42.24 81.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 1.0 108.863 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.485 ' NE2' ' CB ' ' A' ' 692' ' ' ALA . 63.2 mt-30 -60.18 -35.37 75.21 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.329 -0.857 . . . . 1.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -78.95 -46.39 18.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.653 -1.279 . . . . 1.0 108.31 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.787 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.39 -33.33 84.21 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.737 -1.745 . . . . 1.0 108.737 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 564' ' ' LEU . 68.1 t -70.06 -49.33 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.149 . . . . 1.0 108.819 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 39.6 m -66.57 -39.8 88.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.903 . . . . 1.0 108.835 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.3 m -62.95 -43.28 99.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.483 -0.761 . . . . 1.0 110.113 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 567' ' ' GLY . 73.0 p -67.35 -33.23 74.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 1.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 568' ' ' VAL . 57.0 t -63.59 -39.18 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.261 -0.899 . . . . 1.0 108.989 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.34 83.67 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 1.0 109.467 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -57.92 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.0 109.456 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.24 -46.07 79.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 1.0 109.452 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 576' ' ' LEU . 4.4 mm? -68.74 -35.39 77.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 1.0 108.838 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.08 -38.0 66.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 1.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.46 -44.17 36.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 1.0 109.429 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.89 . . . . 1.0 109.586 -179.415 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -56.39 -37.16 69.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 1.0 109.381 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.301 -0.874 . . . . 1.0 109.043 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.1 tt -72.22 -43.17 64.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.501 -0.75 . . . . 1.0 109.053 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.0 -35.49 76.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 1.0 109.504 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.89 76.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.9 . . . . 1.0 110.04 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.31 80.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 1.0 109.956 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.16 -37.61 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 1.0 109.491 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.99 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 1.0 109.371 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.8 92.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.912 . . . . 1.0 109.646 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 613' ' ' VAL . 70.5 t -62.92 -43.19 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.113 -0.992 . . . . 1.0 109.325 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.588 ' ND1' ' CE1' ' A' ' 650' ' ' TYR . 18.3 m-70 -70.13 -31.17 68.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.112 -0.992 . . . . 1.0 109.567 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.83 -42.08 99.42 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.8 71.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.113 -1.228 . . . . 1.0 109.538 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.604 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.2 t -67.39 -46.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.081 -1.012 . . . . 1.0 108.978 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -54.6 -34.6 62.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.276 -0.89 . . . . 1.0 108.813 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.07 -34.7 78.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.163 -0.96 . . . . 1.0 108.722 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 616' ' ' LEU . 2.8 tt -68.72 -42.35 77.77 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -42.22 95.89 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.589 -0.893 . . . . 1.0 108.589 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.01 -45.16 59.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 1.0 110.522 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.95 -47.53 80.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.952 -1.092 . . . . 1.0 109.384 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.77 92.31 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.328 -0.858 . . . . 1.0 109.218 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.43 -39.39 92.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.099 -1.001 . . . . 1.0 109.703 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 50.0 m -57.18 -39.16 74.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.693 -1.255 . . . . 1.0 108.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -62.57 -37.52 86.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.0 109.326 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.2 -42.91 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 1.0 109.527 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 1.0 109.559 -179.841 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.519 -0.549 . . . . 1.0 109.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 697' ' ' GLY . 10.1 mt -57.14 -44.03 83.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -62.93 -44.26 96.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 1.0 108.573 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.58 -48.22 79.97 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.867 -0.79 . . . . 1.0 108.867 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.74 88.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.418 -0.801 . . . . 1.0 109.672 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 64.6 tp -58.11 -46.97 84.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.286 -0.884 . . . . 1.0 110.194 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.0 99.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.077 -1.015 . . . . 1.0 110.3 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -60.76 -46.06 91.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.09 -1.006 . . . . 1.0 110.604 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -72.75 -33.82 66.61 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.926 -1.109 . . . . 1.0 110.005 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.45 -47.07 65.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.206 -0.934 . . . . 1.0 110.101 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.96 -37.26 87.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 1.0 109.547 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -64.5 -34.19 77.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.545 -1.28 . . . . 1.0 107.545 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -38.94 83.03 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.65 -51.09 68.64 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 652' ' ' THR . 24.1 t0 -67.55 -43.59 80.32 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.596 -0.69 . . . . 1.0 109.52 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 -40.42 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.339 -0.85 . . . . 1.0 110.135 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.604 ' CE1' HG11 ' A' ' 613' ' ' VAL . 45.6 t80 -66.52 -35.88 81.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.859 -1.151 . . . . 1.0 109.619 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -72.28 -33.03 67.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.07 -1.019 . . . . 1.0 109.46 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 648' ' ' ASP . 76.3 p -61.98 -41.27 97.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 1.0 109.121 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 680' ' ' CYS . 85.5 mt -68.71 -34.43 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.391 -0.818 . . . . 1.0 109.816 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.01 -42.88 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.03 -1.044 . . . . 1.0 109.427 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.4 t -66.83 -44.35 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -61.47 -39.62 91.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.341 -1.355 . . . . 1.0 107.341 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.419 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -71.68 -43.96 50.22 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.464 -1.454 . . . . 1.0 109.464 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.86 -30.72 61.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.059 -1.26 . . . . 1.0 109.72 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 655' ' ' VAL . 70.2 t -63.58 -32.38 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 1.0 110.29 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 4.0 tt -53.55 -30.41 41.78 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.018 -1.051 . . . . 1.0 109.648 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 1.0 109.546 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.05 -25.63 22.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.0 109.202 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -64.51 -47.18 79.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.227 -0.921 . . . . 1.0 109.522 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -57.75 -32.87 67.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 1.0 110.048 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 674' ' ' LEU . 4.4 mm? -63.6 -39.1 93.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.015 . . . . 1.0 109.648 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.67 -35.2 75.64 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.102 -1.444 . . . . 1.0 107.102 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -70.96 -42.66 69.47 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.13 -0.692 . . . . 1.0 109.13 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.419 HD21 ' HA2' ' A' ' 657' ' ' GLY . 16.8 mt -70.18 -47.35 61.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 1.0 108.777 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.58 -32.02 35.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.03 -43.69 67.37 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.605 -0.684 . . . . 1.0 109.22 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.497 ' SG ' HD22 ' A' ' 653' ' ' LEU . 79.9 m -67.09 -39.08 86.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.183 -0.948 . . . . 1.0 109.686 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 27.0 t -57.36 -35.15 69.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.236 -0.915 . . . . 1.0 110.53 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.73 -30.8 56.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.855 -1.153 . . . . 1.0 110.087 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.16 -46.12 62.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.158 -0.964 . . . . 1.0 111.812 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -58.12 -51.42 81.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.934 -1.104 . . . . 1.0 112.493 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.9 Cg_endo -64.3 -41.72 20.21 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 121.972 1.781 . . . . 1.0 112.634 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.61 -40.52 97.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.018 -1.051 . . . . 1.0 108.223 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -75.56 -32.68 60.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.52 -0.738 . . . . 1.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.42 86.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.234 -0.916 . . . . 1.0 109.167 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 0.2 OUTLIER -68.03 -38.2 82.26 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.37 -0.831 . . . . 1.0 109.506 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.34 -43.71 98.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.329 -0.857 . . . . 1.0 108.964 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.71 -33.6 71.82 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -59.82 -35.65 75.17 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . 0.58 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 29.4 t -69.8 -41.85 74.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.86 . . . . 1.0 109.299 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.509 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -70.7 -29.44 65.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.92 . . . . 1.0 108.546 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 692' ' ' ALA . 13.8 mt -68.07 -38.01 81.9 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.609 ' CD2' ' N ' ' A' ' 697' ' ' GLY . 1.3 p-80 -73.05 -40.15 65.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.484 -0.76 . . . . 1.0 109.564 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . 0.609 ' N ' ' CD2' ' A' ' 696' ' ' HIS . . . -55.59 -27.97 50.17 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.374 -1.49 . . . . 1.0 109.374 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.5 OUTLIER -118.59 7.63 11.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.356 -1.085 . . . . 1.0 109.549 -179.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -50.35 -40.45 49.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.177 -0.952 . . . . 1.0 109.273 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.4 t -50.89 -35.4 32.73 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.922 . . . . 1.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.36 -43.42 11.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.965 . . . . 1.0 110.611 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.611 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 51.4 mt -53.5 -32.5 50.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.178 . . . . 1.0 108.749 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 8.6 m-85 -121.66 -68.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 1.0 109.235 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 33.0 ttt85 . . . . . 0 N--CA 1.488 1.432 0 O-C-N 121.43 -0.794 . . . . 1.0 109.667 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 108.131 -1.063 . . . . 1.0 108.131 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.21 -37.96 89.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.492 -0.755 . . . . 1.0 111.001 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.52 -42.89 91.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.926 -1.109 . . . . 1.0 110.535 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.51 ' O ' ' OG1' ' A' ' 560' ' ' THR . 15.8 t -75.43 -43.23 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.629 -1.294 . . . . 1.0 108.089 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 561' ' ' LEU . . . -59.77 -43.12 94.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 1.0 109.498 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -32.13 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.67 -1.269 . . . . 1.0 108.798 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.29 -49.6 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.423 -0.798 . . . . 1.0 109.697 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -68.61 -34.83 76.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.902 . . . . 1.0 109.84 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 557' ' ' ALA . 3.7 mt -61.53 -44.97 96.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.9 -1.125 . . . . 1.0 109.036 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.4 81.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 1.0 109.871 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.529 ' HD3' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -61.23 -32.34 72.13 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.115 -0.991 . . . . 1.0 108.739 178.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -70.3 -37.62 74.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.607 -0.683 . . . . 1.0 109.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.468 HE22 ' CB ' ' A' ' 688' ' ' ALA . 43.9 mm-40 -61.28 -30.09 70.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 1.0 109.496 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -77.76 -47.69 18.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 1.0 108.562 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.14 -33.39 87.12 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 564' ' ' LEU . 87.1 t -71.98 -49.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.992 -1.299 . . . . 1.0 109.049 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 t -66.88 -39.79 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 1.0 108.725 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.9 m -62.62 -42.73 99.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.545 -0.722 . . . . 1.0 110.12 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 53.2 p -67.39 -32.82 73.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 1.0 109.864 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.556 HG13 ' OG ' ' A' ' 681' ' ' SER . 58.6 t -66.57 -39.07 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 1.0 109.495 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.3 84.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.148 -0.97 . . . . 1.0 108.721 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . 0.836 ' NE2' HD11 ' A' ' 578' ' ' LEU . 29.2 t60 -59.65 -50.22 74.71 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.587 -0.696 . . . . 1.0 109.484 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.18 -45.42 72.12 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.229 -0.919 . . . . 1.0 109.003 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.77 -35.2 69.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -58.35 -37.98 76.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.916 . . . . 1.0 109.223 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.836 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.99 -42.95 84.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.311 -0.868 . . . . 1.0 109.468 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 69.1 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.0 109.498 179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.0 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.184 0.516 . . . . 1.0 109.668 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . 0.506 ' CD ' ' H ' ' A' ' 600' ' ' GLN . 7.3 mp0 -57.79 -42.28 83.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 1.0 109.274 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.427 -0.795 . . . . 1.0 109.201 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 606' ' ' VAL . 0.1 OUTLIER -77.1 -43.14 35.3 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.304 -0.872 . . . . 1.0 109.004 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -65.27 -38.27 89.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.847 . . . . 1.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.73 72.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 1.0 109.958 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.19 -47.21 62.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 1.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 602' ' ' LEU . 14.8 p -69.56 -37.57 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 1.0 109.712 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -64.93 -45.9 83.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.966 . . . . 1.0 109.42 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.84 87.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.214 -0.929 . . . . 1.0 109.902 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -44.33 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.021 -1.05 . . . . 1.0 109.529 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.585 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 31.2 m170 -68.24 -29.33 68.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.087 -1.008 . . . . 1.0 108.899 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.81 98.56 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.9 76.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.262 . . . . 1.0 109.443 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CE1' ' A' ' 650' ' ' TYR . 86.8 t -66.89 -45.32 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.212 -0.93 . . . . 1.0 109.397 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -56.23 -33.75 65.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.442 -0.786 . . . . 1.0 110.606 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.17 -34.08 77.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.706 -1.246 . . . . 1.0 108.729 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.74 -38.99 87.76 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.438 -1.319 . . . . 1.0 107.438 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -40.44 96.27 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -72.51 -45.5 59.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.0 109.189 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.434 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -64.98 -47.25 78.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 1.0 108.748 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.71 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.848 -1.167 . . . . 1.0 107.848 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -59.98 -41.23 91.55 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 38.2 p -58.26 -37.18 74.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.238 -0.914 . . . . 1.0 108.645 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.68 94.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.451 -0.781 . . . . 1.0 109.065 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.28 -35.48 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 1.0 109.606 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.3 -0.875 . . . . 1.0 110.008 -179.78 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 81.8 m . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.227 0.537 . . . . 1.0 109.568 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 635' ' ' LEU . 4.1 mm? -59.28 -45.97 89.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 1.0 109.558 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . 0.417 ' NE2' ' CD2' ' A' ' 702' ' ' LEU . 0.1 OUTLIER -63.05 -42.59 99.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.064 -1.022 . . . . 1.0 108.266 178.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.2 78.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.732 -0.84 . . . . 1.0 108.732 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -42.95 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.748 . . . . 1.0 109.177 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.637 ' CD1' HD11 ' A' ' 702' ' ' LEU . 6.4 tt -59.13 -47.42 85.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.392 -0.818 . . . . 1.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.0 t -58.63 -42.74 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 1.0 109.955 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -61.61 -44.82 96.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.138 -0.976 . . . . 1.0 110.24 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.4 ' OE1' ' CG ' ' A' ' 694' ' ' PHE . 59.7 tt0 -74.35 -36.43 63.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.965 -1.084 . . . . 1.0 110.107 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -68.8 -49.85 55.11 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.225 -0.922 . . . . 1.0 110.247 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.52 -36.59 84.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.041 -1.037 . . . . 1.0 108.92 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.53 -34.65 78.74 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.459 -1.312 . . . . 1.0 107.459 178.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -37.92 80.14 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.197 -1.038 . . . . 1.0 108.197 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -63.59 -52.38 61.22 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.952 -0.758 . . . . 1.0 108.952 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.51 -42.81 82.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.614 -0.679 . . . . 1.0 109.323 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 645' ' ' LYS . 52.1 t -65.06 -40.25 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.838 . . . . 1.0 110.025 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.674 ' CE1' HG11 ' A' ' 613' ' ' VAL . 42.4 t80 -68.53 -35.65 77.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.032 -1.043 . . . . 1.0 109.392 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.64 -36.08 67.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.217 -0.927 . . . . 1.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.7 m -60.82 -43.0 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.204 -0.935 . . . . 1.0 109.251 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.487 HD22 ' SG ' ' A' ' 680' ' ' CYS . 87.4 mt -71.25 -35.23 71.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.406 -0.809 . . . . 1.0 109.856 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 650' ' ' TYR . 79.7 t -60.2 -44.03 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.063 . . . . 1.0 109.499 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.6 t -65.83 -41.53 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 1.0 108.361 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.51 -37.32 87.14 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -74.16 -46.74 20.45 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.94 -28.6 62.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -1.221 . . . . 1.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.5 t -63.24 -35.05 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.249 -0.907 . . . . 1.0 109.767 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.93 -35.61 61.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.995 . . . . 1.0 109.483 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.0 109.49 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 672' ' ' ASP . 8.8 t . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.324 0.583 . . . . 1.0 110.1 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.22 -26.17 27.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.383 -0.823 . . . . 1.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . 0.786 ' H ' HG23 ' A' ' 670' ' ' THR . 89.4 m-20 -65.75 -46.83 77.37 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.237 -0.914 . . . . 1.0 109.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.67 -31.19 66.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.445 -0.784 . . . . 1.0 109.583 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.26 -36.26 81.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.205 -0.934 . . . . 1.0 109.141 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.97 -35.79 77.72 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.006 -1.479 . . . . 1.0 107.006 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -71.3 -41.17 70.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 109.333 -0.618 . . . . 1.0 109.333 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.46 HD21 ' HA2' ' A' ' 657' ' ' GLY . 14.1 mt -71.09 -47.24 59.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.976 -1.078 . . . . 1.0 108.499 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.88 -32.63 43.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 107.844 -1.169 . . . . 1.0 107.844 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.06 67.49 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 108.399 -0.964 . . . . 1.0 108.399 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 653' ' ' LEU . 84.7 m -66.45 -37.45 85.18 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.6 t -56.48 -34.55 67.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 1.0 110.112 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -77.04 -30.76 55.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.816 -1.178 . . . . 1.0 109.202 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.85 -44.68 54.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.335 -0.853 . . . . 1.0 112.272 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.577 HG11 HG21 ' A' ' 613' ' ' VAL . 2.0 t -60.09 -50.2 87.38 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 120.557 -1.34 . . . . 1.0 112.333 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.7 Cg_endo -67.25 -39.54 12.93 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.99 1.794 . . . . 1.0 112.343 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.69 -40.19 91.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.718 -1.216 . . . . 1.0 107.718 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.84 -34.29 64.48 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.468 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -60.2 -41.82 93.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.94 . . . . 1.0 109.061 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -39.15 91.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.463 -0.773 . . . . 1.0 109.103 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.03 -43.39 87.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 1.0 109.063 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 48.3 tp -58.66 -33.76 70.47 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.25 -0.906 . . . . 1.0 108.675 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.13 -34.54 78.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.876 . . . . 1.0 109.154 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.2 m -68.44 -41.7 79.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.4 ' CG ' ' OE1' ' A' ' 642' ' ' GLN . 3.7 m-85 -68.41 -33.15 73.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 1.0 108.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -61.55 -37.11 82.58 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.416 -0.802 . . . . 1.0 109.256 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -68.3 -44.22 75.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.376 -0.827 . . . . 1.0 109.912 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.68 -24.82 57.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.432 -1.467 . . . . 1.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.653 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.6 OUTLIER -111.62 2.51 17.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -1.135 . . . . 1.0 109.837 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -49.15 -25.13 1.98 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.094 -1.003 . . . . 1.0 109.317 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.6 p -76.92 -31.99 57.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.187 -0.946 . . . . 1.0 109.737 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.8 mp -93.03 -45.64 7.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.147 -0.971 . . . . 1.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.637 HD11 ' CD1' ' A' ' 639' ' ' LEU . 15.0 mt -55.78 -29.08 59.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.731 -1.231 . . . . 1.0 108.24 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 703' ' ' PHE . 40.7 m-85 -121.51 -112.12 0.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.453 -0.779 . . . . 1.0 109.028 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.834 . . . . 1.0 110.05 -179.545 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.407 0.622 . . . . 1.0 109.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.29 -39.76 84.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.773 . . . . 1.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 1.0 109.753 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.3 -39.38 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.36 91.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -36.47 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.174 -0.954 . . . . 1.0 109.057 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.05 -49.07 66.37 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.424 ' O ' HD13 ' A' ' 564' ' ' LEU . 53.4 m -58.92 -47.75 83.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.327 -0.858 . . . . 1.0 109.754 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 692' ' ' ALA . 28.5 tp -54.72 -45.64 74.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.169 -0.957 . . . . 1.0 110.055 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -43.56 73.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.134 -0.978 . . . . 1.0 109.766 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.406 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 20.2 mtp-105 -70.73 -32.28 69.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 1.0 110.181 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -68.14 -43.25 78.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 1.0 110.026 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.4 -32.21 73.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 1.0 109.081 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -77.43 -50.65 12.25 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.786 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.41 -33.1 86.32 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 108.786 -1.725 . . . . 1.0 108.786 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 564' ' ' LEU . 72.1 t -73.17 -49.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -1.058 . . . . 1.0 108.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.38 -39.47 89.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.841 . . . . 1.0 108.913 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.9 m -62.62 -43.07 99.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.517 -0.74 . . . . 1.0 110.379 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.7 p -67.77 -31.72 71.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.033 . . . . 1.0 110.366 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 568' ' ' VAL . 59.6 t -64.96 -39.6 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.909 -1.119 . . . . 1.0 109.519 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -61.07 -39.25 89.16 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.149 -0.969 . . . . 1.0 108.495 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -57.73 -51.13 70.82 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.561 -0.712 . . . . 1.0 109.432 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.3 tp -56.67 -46.26 81.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 1.0 109.517 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.433 HD13 HG12 ' A' ' 572' ' ' VAL . 5.2 mp -70.1 -32.81 71.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.365 -0.834 . . . . 1.0 109.193 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 573' ' ' ALA . 21.4 t70 -63.79 -35.53 80.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.253 -0.904 . . . . 1.0 109.133 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.3 tt -68.44 -37.48 80.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 1.0 109.5 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 1.0 109.508 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -56.6 -45.26 81.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 1.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -58.17 -34.51 70.41 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.418 -0.801 . . . . 1.0 109.285 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -69.66 -40.32 76.53 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.356 -0.84 . . . . 1.0 109.066 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -64.75 -36.1 83.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 1.0 109.558 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -36.83 75.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 1.0 109.798 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.83 -47.77 57.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.0 109.992 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 5.4 p -70.15 -36.58 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.04 -1.038 . . . . 1.0 109.493 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.4 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -60.36 -36.6 78.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 1.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.79 60.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.261 -0.9 . . . . 1.0 109.42 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.463 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -64.87 -42.73 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 1.0 108.992 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' A' ' 650' ' ' TYR . 4.7 t-80 -60.62 -44.03 96.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.972 . . . . 1.0 109.503 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.89 -39.48 96.97 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.677 -1.369 . . . . 1.0 109.677 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.74 74.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.071 -1.252 . . . . 1.0 110.121 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.641 HG11 ' CE1' ' A' ' 650' ' ' TYR . 71.0 t -70.97 -44.87 75.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 120.913 -1.117 . . . . 1.0 108.328 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.469 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 12.4 t-80 -56.75 -38.43 72.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 1.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -68.92 -28.11 66.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.595 -1.316 . . . . 1.0 108.273 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 617' ' ' LEU . 3.9 tt -72.61 -34.93 67.71 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.856 -0.794 . . . . 1.0 108.856 178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 616' ' ' LEU . 4.9 mp -76.23 -39.82 53.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.0 110.06 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 44.6 mt-10 -72.33 -47.79 46.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.155 -0.966 . . . . 1.0 111.494 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.752 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -67.62 -39.79 84.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.717 -1.239 . . . . 1.0 108.893 -179.145 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.752 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.74 -39.06 92.99 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -61.15 -37.6 83.44 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.429 0.633 . . . . 1.0 109.39 178.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 30.8 t -60.27 -37.74 81.37 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.481 -0.762 . . . . 1.0 110.094 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.18 86.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 1.0 110.109 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.77 -39.92 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.224 -0.923 . . . . 1.0 109.936 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.048 -1.032 . . . . 1.0 109.635 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.25 0.548 . . . . 1.0 109.64 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 698' ' ' ASN . 0.2 OUTLIER -58.6 -47.28 84.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 1.0 109.464 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -44.9 95.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 1.0 108.36 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.34 76.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.42 94.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.0 109.332 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.609 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.4 tt -59.51 -47.56 85.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0 109.983 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . 0.435 ' O ' ' OE1' ' A' ' 644' ' ' GLN . 23.1 t -60.33 -39.1 85.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.244 -0.91 . . . . 1.0 110.396 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -62.23 -45.54 92.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.0 110.115 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -74.8 -33.97 62.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.216 -0.928 . . . . 1.0 109.813 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.46 -50.2 64.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 1.0 109.403 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 644' ' ' GLN . 1.1 mp0 -63.17 -37.63 87.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.439 -0.788 . . . . 1.0 110.106 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 649' ' ' VAL . 17.3 ttpp -64.01 -33.16 75.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.798 -1.189 . . . . 1.0 108.222 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -38.34 79.99 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.486 -0.931 . . . . 1.0 108.486 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 617' ' ' LEU . 56.6 mm-40 -63.33 -50.71 68.94 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -65.14 -42.81 93.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 645' ' ' LYS . 40.7 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.641 ' CE1' HG11 ' A' ' 613' ' ' VAL . 10.9 t80 -64.15 -35.79 81.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 1.0 110.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -31.16 72.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.972 . . . . 1.0 109.823 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . 0.42 HG22 ' ND1' ' A' ' 656' ' ' HIS . 19.4 m -64.59 -38.56 91.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.052 -1.03 . . . . 1.0 109.46 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 680' ' ' CYS . 15.4 mt -62.73 -39.24 93.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 1.0 109.636 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.22 -44.78 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.171 -0.956 . . . . 1.0 110.028 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.57 -46.84 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.901 -1.124 . . . . 1.0 108.285 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . 0.42 ' ND1' HG22 ' A' ' 652' ' ' THR . 13.0 m170 -59.47 -39.0 82.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.7 -44.79 24.6 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.1 -36.46 68.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.431 -1.629 . . . . 1.0 109.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.42 -36.97 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.87 -33.88 67.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.409 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.0 109.576 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . 0.847 HG23 ' H ' ' A' ' 672' ' ' ASP . 15.1 t . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.309 0.575 . . . . 1.0 109.771 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 62.5 mt -54.15 -25.47 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 1.0 109.816 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . 0.847 ' H ' HG23 ' A' ' 670' ' ' THR . 85.2 m-20 -67.17 -46.89 72.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.216 -0.928 . . . . 1.0 109.223 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . 0.476 ' CG ' HH21 ' A' ' 676' ' ' ARG . 59.7 t0 -57.51 -34.2 68.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 1.0 109.738 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 674' ' ' LEU . 10.9 mp -66.19 -35.61 80.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 1.0 109.404 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.19 -35.99 78.65 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.192 -1.41 . . . . 1.0 107.192 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 673' ' ' ASP . 64.6 mtm180 -70.75 -41.95 71.11 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.61 -47.5 59.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.013 -1.054 . . . . 1.0 108.644 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.33 -32.74 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.83 57.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.726 ' CB ' HD21 ' A' ' 653' ' ' LEU . 87.8 m -64.53 -37.92 89.21 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.372 -0.83 . . . . 1.0 109.106 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.591 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 33.6 t -55.79 -33.76 64.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 1.0 110.443 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -75.28 -27.89 59.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 1.0 109.95 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.37 70.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.061 -1.024 . . . . 1.0 110.844 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -57.09 -52.94 70.39 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.094 -1.004 . . . . 1.0 112.334 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.591 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.1 Cg_endo -62.85 -41.51 29.54 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.687 1.592 . . . . 1.0 112.902 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.56 -42.72 98.34 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.967 -1.083 . . . . 1.0 109.002 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -72.52 -34.12 67.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.26 -0.9 . . . . 1.0 109.43 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.95 82.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.152 -0.967 . . . . 1.0 108.957 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -64.65 -36.97 85.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.378 -0.826 . . . . 1.0 109.342 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.2 -45.15 85.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.457 -0.777 . . . . 1.0 109.453 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.88 -36.09 74.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.116 -0.99 . . . . 1.0 108.36 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 561' ' ' LEU . . . -57.08 -38.48 73.37 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.635 -0.876 . . . . 1.0 108.635 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 26.7 t -72.03 -42.94 65.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.443 -0.786 . . . . 1.0 109.724 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.522 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.6 m-85 -66.16 -40.65 90.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.091 -1.006 . . . . 1.0 108.408 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 699' ' ' ALA . 7.9 mp -66.26 -36.64 83.53 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 7.4 t60 -72.5 -36.21 68.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.427 -0.795 . . . . 1.0 109.734 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.61 67.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 108.906 -1.678 . . . . 1.0 108.906 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.609 HD21 ' CD1' ' A' ' 639' ' ' LEU . 3.6 p30 -125.66 8.05 7.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.415 -1.05 . . . . 1.0 109.584 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.49 -40.54 62.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.131 -0.981 . . . . 1.0 109.653 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.9 m -48.19 -32.83 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -0.945 . . . . 1.0 109.722 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.61 -39.88 13.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.184 -0.947 . . . . 1.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.513 HD21 ' OD1' ' A' ' 698' ' ' ASN . 35.4 mt -55.09 -32.23 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.763 -1.211 . . . . 1.0 108.484 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 -67.01 1.02 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 1.0 109.158 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 14.0 tpt85 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 1.0 109.977 179.689 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.175 -1.046 . . . . 1.0 108.175 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 699' ' ' ALA . 2.2 tt -53.82 -43.17 69.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.577 -0.702 . . . . 1.0 109.398 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 558' ' ' VAL . 42.8 tp10 -63.61 -41.18 98.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.0 109.845 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.523 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.3 t -74.09 -37.49 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.677 -1.265 . . . . 1.0 107.902 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.3 -42.97 74.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.638 -0.664 . . . . 1.0 109.659 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 555' ' ' GLU . 27.2 m -72.84 -33.57 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.376 -0.827 . . . . 1.0 110.811 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -73.05 -51.47 18.0 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.573 -1.329 . . . . 1.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -61.02 -43.58 98.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.505 -0.747 . . . . 1.0 109.828 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.24 -41.17 90.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.074 -1.016 . . . . 1.0 109.428 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.55 79.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.204 -0.935 . . . . 1.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.486 ' NH1' ' CD1' ' A' ' 564' ' ' LEU . 2.2 ttt-85 -63.27 -33.63 75.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.225 -0.922 . . . . 1.0 109.073 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.7 mp -67.09 -40.29 86.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.413 -0.804 . . . . 1.0 110.076 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.38 -31.89 72.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 1.0 109.92 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -77.3 -48.41 17.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 1.0 108.343 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 571' ' ' THR . . . -59.47 -33.4 76.3 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.1 t -72.16 -48.07 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -1.227 . . . . 1.0 108.391 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.9 m -63.78 -41.59 97.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.355 -0.98 . . . . 1.0 108.355 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 59.5 m -60.97 -42.07 97.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.621 -0.674 . . . . 1.0 109.825 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.55 ' OG1' HG23 ' A' ' 609' ' ' VAL . 12.8 p -63.0 -32.98 74.46 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.192 -0.942 . . . . 1.0 110.376 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.33 -37.85 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.926 -1.109 . . . . 1.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.85 87.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 1.0 108.56 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -58.23 -49.41 77.18 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.536 -0.727 . . . . 1.0 109.728 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.02 -48.74 75.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.375 -0.828 . . . . 1.0 109.535 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.26 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -0.775 . . . . 1.0 109.381 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.29 -39.33 82.64 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.195 -0.94 . . . . 1.0 108.872 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 601' ' ' ASP . 2.8 mm? -63.92 -43.3 96.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.43 -0.794 . . . . 1.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.935 . . . . 1.0 109.492 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.13 0.49 . . . . 1.0 110.089 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -57.42 -37.08 72.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 578' ' ' LEU . 55.2 t0 -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.293 -0.88 . . . . 1.0 109.329 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.5 tt -70.32 -43.22 70.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.394 -0.816 . . . . 1.0 108.999 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -58.27 -35.32 71.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.35 -0.844 . . . . 1.0 109.818 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.04 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.185 -0.947 . . . . 1.0 109.994 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.56 59.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.231 -0.918 . . . . 1.0 110.254 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 602' ' ' LEU . 8.3 p -66.48 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 1.0 109.728 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -68.54 -26.55 65.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.205 -0.934 . . . . 1.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.45 -51.32 44.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.236 -0.915 . . . . 1.0 109.973 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.55 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.08 -43.04 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.129 -0.982 . . . . 1.0 109.28 -179.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.59 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 64.5 m170 -60.86 -43.59 98.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.0 108.87 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.61 -40.98 98.64 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 110.12 -1.192 . . . . 1.0 110.12 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.92 73.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.92 -1.341 . . . . 1.0 109.576 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.924 HG11 ' CD1' ' A' ' 650' ' ' TYR . 71.9 t -64.51 -46.46 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 1.0 109.145 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -53.26 -38.06 62.7 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.05 -32.54 73.07 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -70.23 -44.29 68.86 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.372 -1.344 . . . . 1.0 107.372 178.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -61.9 -40.55 95.82 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.889 -1.152 . . . . 1.0 107.889 178.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.24 -44.54 62.74 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 1.0 109.585 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.4 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.88 -48.29 77.26 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.059 -1.026 . . . . 1.0 108.644 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.08 95.84 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.439 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.36 -42.92 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.678 -0.639 . . . . 1.0 109.464 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.5 p -64.48 -39.68 94.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.31 -0.869 . . . . 1.0 109.056 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 702' ' ' LEU . . . -57.69 -47.66 81.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.332 -0.855 . . . . 1.0 109.51 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.16 -35.55 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.248 -0.908 . . . . 1.0 109.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.244 -0.91 . . . . 1.0 109.324 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.193 0.52 . . . . 1.0 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.75 -48.26 80.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 1.0 109.468 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -58.22 -44.03 87.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.331 -0.988 . . . . 1.0 108.331 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.44 67.64 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.507 -0.746 . . . . 1.0 109.004 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.46 -44.58 96.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.345 -0.847 . . . . 1.0 109.509 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.518 ' CD1' HD22 ' A' ' 698' ' ' ASN . 5.5 tt -71.16 -46.43 61.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -0.823 . . . . 1.0 109.3 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 44.6 t -58.1 -42.2 85.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 1.0 109.765 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -58.7 -45.57 89.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.078 -1.014 . . . . 1.0 109.949 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 694' ' ' PHE . 27.1 mt-30 -70.17 -33.42 71.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 1.0 110.216 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.75 -48.17 72.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.147 -0.971 . . . . 1.0 109.816 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.84 -37.49 81.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.282 -0.886 . . . . 1.0 108.966 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -66.72 -36.01 81.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.24 -37.15 83.08 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.042 -1.095 . . . . 1.0 108.042 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -63.2 -52.42 62.37 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.654 0.74 . . . . 1.0 109.168 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -67.43 -43.9 80.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.615 -0.678 . . . . 1.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 23.2 t -61.19 -45.09 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.282 -0.886 . . . . 1.0 110.113 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.924 ' CD1' HG11 ' A' ' 613' ' ' VAL . 36.6 t80 -69.76 -35.69 75.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.98 -1.075 . . . . 1.0 110.671 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.29 -36.01 68.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.674 -1.266 . . . . 1.0 109.937 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 50.5 m -61.69 -43.29 99.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 1.0 109.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 657' ' ' GLY . 86.7 mt -68.89 -36.58 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 1.0 109.694 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 650' ' ' TYR . 77.6 t -61.09 -44.23 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.595 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 659' ' ' VAL . 89.0 t -67.35 -44.19 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.078 -1.014 . . . . 1.0 108.441 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -65.27 -36.34 83.82 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 107.586 -1.264 . . . . 1.0 107.586 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -73.89 -43.68 33.61 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.389 -1.484 . . . . 1.0 109.389 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -55.73 -30.54 61.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -1.169 . . . . 1.0 109.565 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -64.56 -36.65 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 1.0 110.009 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.641 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.2 -25.47 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.114 -0.991 . . . . 1.0 109.513 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.5 t0 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.391 -0.818 . . . . 1.0 109.762 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.291 0.567 . . . . 1.0 110.028 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.72 -23.91 13.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.0 109.722 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -66.22 -44.74 82.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.173 -0.954 . . . . 1.0 108.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -57.88 -35.33 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 1.0 109.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -60.24 -42.76 95.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.297 -0.877 . . . . 1.0 109.025 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.32 -35.78 76.4 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.321 -1.363 . . . . 1.0 107.321 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 91.0 mtt-85 -73.7 -38.92 64.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.67 -49.63 61.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.932 -1.105 . . . . 1.0 108.58 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 67.2 t -55.24 -31.03 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -68.55 -40.55 80.63 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.28 -41.77 93.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.403 -0.81 . . . . 1.0 108.924 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.657 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.05 -31.95 65.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 1.0 110.271 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.45 -32.04 58.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.755 -1.216 . . . . 1.0 109.508 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.139 -0.976 . . . . 1.0 110.906 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -56.36 -51.29 82.14 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.815 -1.178 . . . . 1.0 112.276 -176.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.657 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.8 Cg_exo -66.41 -42.01 10.84 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.569 1.512 . . . . 1.0 112.481 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.65 -44.36 94.04 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.059 -1.026 . . . . 1.0 108.953 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.83 -37.65 64.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -0.797 . . . . 1.0 110.597 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.68 97.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.799 -1.188 . . . . 1.0 109.291 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -65.68 -38.69 89.96 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.16 -0.962 . . . . 1.0 108.99 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -59.67 -45.49 91.9 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -0.892 . . . . 1.0 108.986 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.581 ' O ' HD13 ' A' ' 695' ' ' LEU . 8.0 mp -58.9 -36.98 75.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 1.0 108.703 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.93 81.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.285 -0.884 . . . . 1.0 109.193 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.8 m -68.57 -43.56 76.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.905 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.539 ' CZ ' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -64.6 -36.32 83.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.098 -1.002 . . . . 1.0 109.038 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 691' ' ' LEU . 6.4 mp -61.08 -37.63 83.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 1.0 108.925 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -61.33 -45.6 93.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.927 . . . . 1.0 110.46 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.07 -21.18 75.4 Favored Glycine 0 N--CA 1.495 2.579 0 C-N-CA 119.993 -1.098 . . . . 1.0 110.416 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.518 HD22 ' CD1' ' A' ' 639' ' ' LEU . 0.1 OUTLIER -111.84 2.6 17.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.876 -1.367 . . . . 1.0 110.15 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 554' ' ' LEU . . . -59.18 -22.42 60.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.109 -0.995 . . . . 1.0 109.458 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 41.5 t -67.73 -46.98 70.62 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 701' ' ' LEU . 11.2 mp -101.59 -20.28 15.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.473 -0.767 . . . . 1.0 110.146 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 623' ' ' ALA . 48.8 tp -65.73 -26.87 67.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.836 -1.165 . . . . 1.0 108.613 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.56 -74.27 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.437 -0.79 . . . . 1.0 109.42 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.0 109.763 -179.694 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.542 ' CD1' ' HB1' ' A' ' 699' ' ' ALA . 21.1 tp -55.85 -40.58 73.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.454 -0.779 . . . . 1.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.47 -42.41 83.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.427 -0.796 . . . . 1.0 110.493 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.642 ' O ' ' OG1' ' A' ' 560' ' ' THR . 76.5 t -69.98 -48.49 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.639 -1.288 . . . . 1.0 107.549 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.66 -40.24 71.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.446 -0.946 . . . . 1.0 108.446 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.94 -35.98 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.448 -0.782 . . . . 1.0 109.62 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.95 -48.54 44.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.927 -1.108 . . . . 1.0 108.78 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.9 -45.05 95.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.777 -0.577 . . . . 1.0 110.152 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.4 -28.87 69.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.241 -0.912 . . . . 1.0 109.859 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.2 81.59 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.81 . . . . 1.0 109.435 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 62.3 mtm-85 -66.47 -32.13 73.3 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.285 -0.884 . . . . 1.0 109.449 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.1 mp -72.59 -41.25 65.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 1.0 109.247 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.76 -36.19 76.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 1.0 110.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 566' ' ' GLN . 10.2 pt20 -79.14 -43.09 24.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.577 -1.327 . . . . 1.0 108.889 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.01 -32.41 82.11 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 108.76 -1.736 . . . . 1.0 108.76 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 564' ' ' LEU . 80.6 t -71.06 -49.04 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.353 -1.086 . . . . 1.0 108.938 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 13.9 m -66.34 -38.54 87.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 1.0 108.71 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.3 m -61.59 -42.57 99.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.685 . . . . 1.0 109.947 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 609' ' ' VAL . 35.3 p -66.03 -33.51 75.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.179 -0.95 . . . . 1.0 109.718 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.79 -38.76 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.0 109.228 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.68 -38.65 82.12 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.15 -51.56 67.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.649 -0.657 . . . . 1.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 575' ' ' LEU . 0.2 OUTLIER -57.71 -49.15 77.48 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.368 -0.832 . . . . 1.0 109.608 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.0 -36.34 81.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 1.0 109.184 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.7 m-20 -60.0 -39.79 86.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.892 . . . . 1.0 109.15 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 605' ' ' ALA . 12.4 mt -62.62 -37.79 87.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.383 -0.823 . . . . 1.0 109.353 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 1.0 109.507 -179.725 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.183 0.516 . . . . 1.0 109.72 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.26 -45.43 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -0.973 . . . . 1.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.15 -37.95 78.52 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.474 -0.766 . . . . 1.0 109.104 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.6 tt -74.56 -41.66 60.15 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.46 -0.775 . . . . 1.0 109.106 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -32.02 73.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.531 -0.73 . . . . 1.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.8 57.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.0 109.902 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 578' ' ' LEU . . . -68.99 -47.67 64.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.0 110.135 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 2.7 p -61.13 -35.73 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.007 . . . . 1.0 109.808 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -69.77 -28.57 65.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 1.0 109.842 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.71 -52.83 33.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 1.0 110.191 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.869 ' O ' HG23 ' A' ' 613' ' ' VAL . 2.7 p -63.43 -43.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.935 -1.103 . . . . 1.0 109.565 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.717 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 7.2 t-80 -60.49 -47.44 86.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.123 -0.986 . . . . 1.0 108.973 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.22 -40.77 96.23 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 109.144 -1.582 . . . . 1.0 109.144 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.04 77.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -1.125 . . . . 1.0 109.776 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 609' ' ' VAL . 18.7 t -67.43 -44.61 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.927 -1.108 . . . . 1.0 108.876 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -36.98 61.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -0.758 . . . . 1.0 109.666 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.25 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.266 -1.012 . . . . 1.0 108.266 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.597 HD22 ' HB1' ' A' ' 688' ' ' ALA . 6.4 tp -66.65 -44.07 82.88 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -45.02 95.78 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.856 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.72 -45.13 60.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.95 -1.094 . . . . 1.0 111.125 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.441 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -62.42 -47.56 83.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.748 -1.22 . . . . 1.0 109.69 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.1 89.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.99 -1.069 . . . . 1.0 109.589 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -38.74 82.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.163 -0.961 . . . . 1.0 109.078 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 625' ' ' SER . 24.2 m -57.78 -42.93 85.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 1.0 108.369 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.75 76.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 1.0 109.794 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.07 -35.53 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.948 . . . . 1.0 109.709 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 622' ' ' SER . 84.8 p . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 1.0 109.618 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 697' ' ' GLY . 69.1 mt -58.06 -46.25 85.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 1.0 109.43 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -62.91 -45.6 91.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.193 -0.942 . . . . 1.0 108.541 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.94 75.24 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -63.69 -46.02 87.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.447 -0.783 . . . . 1.0 109.178 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.635 HD22 HD22 ' A' ' 698' ' ' ASN . 27.0 tp -62.97 -46.54 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 1.0 109.442 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -42.26 98.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.158 -0.964 . . . . 1.0 109.293 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.47 -44.35 97.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 1.0 109.631 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.445 ' CB ' HD11 ' A' ' 691' ' ' LEU . 83.3 mm-40 -72.05 -47.01 54.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 1.0 109.657 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -59.24 -45.17 91.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.409 -0.807 . . . . 1.0 110.003 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.64 -32.04 73.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.112 -0.993 . . . . 1.0 109.024 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -65.57 -39.65 91.9 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.83 -38.92 90.2 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -60.68 -51.23 70.24 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.59 0.709 . . . . 1.0 109.102 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -66.26 -41.72 89.5 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.572 -0.705 . . . . 1.0 109.266 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 645' ' ' LYS . 92.1 t -65.65 -39.17 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 1.0 110.088 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.717 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 6.0 t80 -63.5 -35.48 80.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.949 -1.094 . . . . 1.0 110.037 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.37 -31.8 72.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.048 -1.033 . . . . 1.0 109.725 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.5 m -64.95 -37.9 89.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.13 -0.981 . . . . 1.0 109.266 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 657' ' ' GLY . 5.2 mt -65.79 -37.05 85.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.361 -0.837 . . . . 1.0 109.562 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 658' ' ' GLN . 77.7 t -60.18 -43.27 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.017 . . . . 1.0 109.254 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.06 -46.97 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.031 -1.043 . . . . 1.0 108.423 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.35 -36.81 83.4 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.766 -1.198 . . . . 1.0 107.766 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -75.26 -40.55 33.55 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.0 mm-40 -54.7 -30.03 54.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -1.217 . . . . 1.0 109.223 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.54 -39.54 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 1.0 109.628 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 602' ' ' LEU . 2.6 tt -81.01 75.45 7.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -0.85 . . . . 1.0 109.411 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 48.5 t0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 1.0 109.515 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.33 0.586 . . . . 1.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.63 -26.11 30.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 1.0 109.554 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.91 -47.13 72.73 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.225 -0.922 . . . . 1.0 108.833 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -56.84 -36.68 70.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.4 -0.812 . . . . 1.0 109.59 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.08 -35.08 80.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.29 -0.881 . . . . 1.0 109.171 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.61 -36.63 79.05 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.063 -1.458 . . . . 1.0 107.063 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 676' ' ' ARG . 19.8 mtp-105 -73.65 -37.11 65.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.8 -48.71 58.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.059 . . . . 1.0 108.643 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.58 -30.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 107.763 -1.199 . . . . 1.0 107.763 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.58 -47.69 58.95 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.734 -0.839 . . . . 1.0 108.734 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 16.3 m -67.68 -42.56 81.89 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.246 -0.909 . . . . 1.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.67 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -59.62 -31.22 69.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.885 . . . . 1.0 110.259 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -75.13 -26.96 59.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.887 -1.133 . . . . 1.0 110.003 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.5 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.13 -0.981 . . . . 1.0 111.894 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.577 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 1.7 t -63.63 -49.38 77.46 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.772 -1.205 . . . . 1.0 112.515 -178.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.67 ' CD ' ' O ' ' A' ' 681' ' ' SER . 19.0 Cg_endo -64.05 -43.21 16.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.717 1.612 . . . . 1.0 112.456 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -66.24 -37.72 86.19 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -73.12 -32.13 64.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.786 -0.82 . . . . 1.0 108.786 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.597 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -59.56 -41.04 89.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.288 -0.882 . . . . 1.0 108.699 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -42.01 87.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.445 -0.784 . . . . 1.0 109.138 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.31 -42.08 99.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.842 . . . . 1.0 108.968 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 691' ' ' LEU . 2.6 mm? -60.95 -33.69 73.59 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.242 -1.021 . . . . 1.0 108.242 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.87 72.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 22.5 m -65.83 -39.94 91.3 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.402 -0.812 . . . . 1.0 109.337 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -65.08 -32.9 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.0 108.895 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 702' ' ' LEU . 3.2 mm? -61.24 -38.75 87.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.283 -0.886 . . . . 1.0 109.242 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -66.64 -44.64 81.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.199 -0.938 . . . . 1.0 110.645 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -62.07 -24.79 65.44 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.765 -1.334 . . . . 1.0 109.765 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.635 HD22 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -109.0 1.01 20.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.125 -1.221 . . . . 1.0 109.31 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.542 ' HB1' ' CD1' ' A' ' 554' ' ' LEU . . . -59.02 -29.36 67.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.336 -0.853 . . . . 1.0 109.555 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -49.11 77.18 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.184 -0.947 . . . . 1.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.2 -13.94 16.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.211 -0.93 . . . . 1.0 111.204 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 695' ' ' LEU . 60.8 tp -66.75 -29.96 70.06 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.757 -1.214 . . . . 1.0 108.716 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.56 -88.11 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.459 -0.776 . . . . 1.0 109.438 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.157 0.504 . . . . 1.0 109.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.32 -43.2 74.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 1.0 110.339 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 555' ' ' GLU . 58.2 mp0 -63.09 -42.94 99.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 1.0 110.189 -178.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.8 t -71.45 -36.09 59.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.817 -1.179 . . . . 1.0 107.817 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.54 72.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.674 -0.641 . . . . 1.0 110.684 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 562' ' ' ALA . 1.8 m -69.65 -34.57 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.398 -1.439 . . . . 1.0 108.382 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -72.14 -51.26 22.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 1.0 108.845 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -59.98 -49.31 78.19 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.395 -0.816 . . . . 1.0 110.127 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -67.29 -35.2 78.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.856 -1.152 . . . . 1.0 109.428 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 558' ' ' VAL . . . -65.12 -41.2 95.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 1.0 109.751 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -62.14 -31.75 72.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.099 -1.0 . . . . 1.0 109.492 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.2 mp -67.09 -40.74 87.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.465 -0.772 . . . . 1.0 109.858 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.539 HE21 ' HB2' ' A' ' 692' ' ' ALA . 96.2 mt-30 -62.71 -32.02 73.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.362 -0.836 . . . . 1.0 109.594 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -77.87 -51.19 10.85 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.189 -0.944 . . . . 1.0 108.634 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.49 -33.88 88.42 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.212 -1.155 . . . . 1.0 110.212 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 564' ' ' LEU . 81.7 t -73.36 -48.66 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.903 -1.351 . . . . 1.0 108.808 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.91 -38.64 86.6 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.79 -0.818 . . . . 1.0 108.79 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 m -61.85 -43.49 98.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.51 -0.744 . . . . 1.0 109.865 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 567' ' ' GLY . 77.8 p -65.87 -35.57 81.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 1.0 109.721 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 568' ' ' VAL . 74.1 t -61.4 -36.83 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.166 -0.958 . . . . 1.0 109.224 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.44 -38.12 79.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.134 -0.979 . . . . 1.0 108.561 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -55.78 -51.63 66.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.572 -0.705 . . . . 1.0 109.585 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 579' ' ' VAL . 6.7 tp -58.68 -49.67 76.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.365 -0.834 . . . . 1.0 109.371 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . 0.43 HD12 HG12 ' A' ' 572' ' ' VAL . 13.7 mt -65.49 -36.02 82.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.515 -0.741 . . . . 1.0 109.645 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 573' ' ' ALA . 54.2 t0 -72.76 -37.31 67.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.133 -0.979 . . . . 1.0 109.087 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.625 HD11 ' OD2' ' A' ' 601' ' ' ASP . 8.6 tp -69.82 -44.28 70.31 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 1.0 109.342 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 575' ' ' LEU . 27.4 m . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.0 109.438 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.112 0.482 . . . . 1.0 109.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 601' ' ' ASP . 18.0 pt20 -56.66 -42.05 78.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.253 -0.904 . . . . 1.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.625 ' OD2' HD11 ' A' ' 578' ' ' LEU . 48.3 t0 -61.96 -39.24 91.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.326 -0.859 . . . . 1.0 109.575 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 606' ' ' VAL . 42.8 tp -67.05 -42.04 85.47 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.287 -0.883 . . . . 1.0 109.612 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -71.0 -31.49 68.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0 109.534 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.93 -46.43 52.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 1.0 110.025 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.76 81.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.987 . . . . 1.0 110.089 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 602' ' ' LEU . 11.8 p -63.61 -36.4 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.066 -1.021 . . . . 1.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.32 -34.19 70.33 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.0 109.591 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.8 -45.21 71.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.0 109.866 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.582 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.71 -41.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.0 109.149 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.605 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.2 m80 -64.01 -41.83 97.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 1.0 109.123 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.71 97.78 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.893 -1.283 . . . . 1.0 109.893 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.76 70.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.978 -1.307 . . . . 1.0 109.617 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 684' ' ' VAL . 86.3 t -70.81 -47.16 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 1.0 108.836 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -54.7 -34.5 62.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.211 -0.93 . . . . 1.0 108.679 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -29.44 67.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.154 -0.966 . . . . 1.0 108.807 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 564' ' ' LEU . 16.1 tp -71.39 -43.94 65.9 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.449 HD23 ' OE2' ' A' ' 647' ' ' GLU . 1.0 OUTLIER -61.6 -34.43 75.62 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.177 -1.046 . . . . 1.0 108.177 178.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.52 -44.21 62.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.621 -0.675 . . . . 1.0 109.937 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.529 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -62.77 -46.48 87.82 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.862 -1.149 . . . . 1.0 108.205 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.25 -38.55 89.69 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.55 -46.54 87.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.685 -0.634 . . . . 1.0 109.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.8 t -58.78 -39.47 81.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.9 . . . . 1.0 109.095 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -65.48 -36.93 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.455 -0.778 . . . . 1.0 109.716 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 620' ' ' ALA . 84.2 t -66.22 -42.85 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 1.0 109.616 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.685 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 635' ' ' LEU . 10.1 mp -58.49 -45.5 88.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -63.24 -43.02 99.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.092 -1.005 . . . . 1.0 108.35 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.81 78.07 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.76 -0.83 . . . . 1.0 108.76 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -44.47 92.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.467 -0.771 . . . . 1.0 109.109 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.846 HD22 HD22 ' A' ' 698' ' ' ASN . 62.1 tp -59.27 -46.99 87.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.0 109.709 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 13.5 t -61.91 -46.92 87.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.206 -0.934 . . . . 1.0 109.994 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -61.5 -47.2 86.7 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.448 -0.782 . . . . 1.0 110.335 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.58 -43.25 66.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.054 -1.029 . . . . 1.0 109.929 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.18 -43.35 78.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.244 -0.91 . . . . 1.0 109.777 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 1.0 108.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttpt -64.0 -40.19 95.81 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 107.914 -1.143 . . . . 1.0 107.914 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.683 ' HG3' HD11 ' A' ' 691' ' ' LEU . 92.8 mmm -66.74 -38.14 86.04 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.193 -1.039 . . . . 1.0 108.193 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.449 ' OE2' HD23 ' A' ' 617' ' ' LEU . 50.3 mm-40 -60.59 -50.76 72.23 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.915 -0.772 . . . . 1.0 108.915 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.41 -41.85 88.67 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.158 -0.617 . . . . 1.0 109.401 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.1 t -69.44 -41.62 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 1.0 110.282 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.605 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 19.8 t80 -58.47 -36.61 73.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.936 -1.103 . . . . 1.0 109.736 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.98 -32.82 71.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 1.0 109.133 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 63.7 m -65.91 -37.02 84.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.198 -0.939 . . . . 1.0 109.126 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.682 HD13 ' SG ' ' A' ' 680' ' ' CYS . 83.4 mt -70.61 -34.59 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 1.0 109.432 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 75.2 t -59.17 -42.7 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 1.0 109.647 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 659' ' ' VAL . 55.4 t -67.76 -43.16 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.039 -1.038 . . . . 1.0 108.528 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -63.85 -37.11 86.16 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.551 -1.277 . . . . 1.0 107.551 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -75.56 -41.86 28.52 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.501 -1.44 . . . . 1.0 109.501 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 5.7 mm-40 -55.06 -22.1 14.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.178 -1.189 . . . . 1.0 109.597 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 655' ' ' VAL . 74.8 t -61.53 -31.65 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 1.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 95.3 mt -53.27 -34.8 58.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.1 -1.0 . . . . 1.0 109.608 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 1.0 109.731 179.889 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.316 0.579 . . . . 1.0 109.78 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.88 -25.54 43.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 1.0 109.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.0 -47.62 83.96 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.33 -0.856 . . . . 1.0 109.178 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.21 -32.89 64.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.305 -0.872 . . . . 1.0 109.67 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.73 -39.4 93.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 1.0 109.255 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.36 -36.02 74.97 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.251 -1.389 . . . . 1.0 107.251 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -71.07 -41.39 70.78 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.815 -0.553 . . . . 1.0 109.569 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.67 -48.29 55.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.972 -1.08 . . . . 1.0 109.035 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . 0.427 HG23 ' HG ' ' A' ' 674' ' ' LEU . 53.0 t -56.6 -32.18 36.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 682' ' ' ARG . . . -71.1 -31.82 68.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -79.92 -41.93 25.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.314 -0.866 . . . . 1.0 109.391 179.341 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.666 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -56.42 -35.15 67.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.27 -0.893 . . . . 1.0 110.492 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 679' ' ' ALA . 1.9 ptt180 -78.82 -29.03 44.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.743 -1.223 . . . . 1.0 110.224 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.75 64.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.053 -1.029 . . . . 1.0 111.35 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 613' ' ' VAL . 0.9 OUTLIER -65.81 -48.66 62.27 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.024 -1.048 . . . . 1.0 112.406 -177.079 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.666 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.2 Cg_exo -68.32 -43.38 4.47 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 121.89 1.727 . . . . 1.0 112.872 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 690' ' ' GLN . 0.4 OUTLIER -61.46 -37.18 82.65 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.891 -1.131 . . . . 1.0 108.199 179.644 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.54 -30.89 61.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.666 -0.646 . . . . 1.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.474 ' HB1' ' CD2' ' A' ' 616' ' ' LEU . . . -59.53 -41.16 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.14 -0.975 . . . . 1.0 108.503 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 17.3 mtmt -65.1 -38.03 89.41 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 686' ' ' GLU . 70.4 mt-30 -60.11 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.687 -0.857 . . . . 1.0 108.687 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.683 HD11 ' HG3' ' A' ' 646' ' ' MET . 95.4 mt -58.99 -35.29 72.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.539 ' HB2' HE21 ' A' ' 565' ' ' GLN . . . -58.64 -41.04 85.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.644 -0.66 . . . . 1.0 109.91 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 36.8 t -71.53 -43.69 65.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.981 . . . . 1.0 110.072 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.582 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -69.09 -37.02 78.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 1.0 108.79 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 699' ' ' ALA . 3.0 tp -65.68 -36.19 82.93 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.829 -1.175 . . . . 1.0 107.829 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.01 -38.06 72.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.53 -0.731 . . . . 1.0 109.367 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 635' ' ' LEU . . . -62.07 -25.05 65.75 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.869 -1.692 . . . . 1.0 108.869 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.846 HD22 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -120.69 0.57 10.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -1.049 . . . . 1.0 109.521 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.23 -37.68 48.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 1.0 109.401 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 34.0 m -51.98 -35.6 46.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.259 -0.901 . . . . 1.0 109.777 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.5 mp -90.07 -38.61 13.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -0.979 . . . . 1.0 110.607 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 78.6 mt -52.21 -32.95 38.91 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.028 -1.101 . . . . 1.0 108.028 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -117.12 -72.82 0.67 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 1.0 109.847 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 699' ' ' ALA . 23.0 tp -57.19 -45.28 83.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.57 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.3 mt-10 -66.13 -46.83 76.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 1.0 110.295 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.503 ' O ' ' OG1' ' A' ' 560' ' ' THR . 78.2 t -67.33 -49.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.751 -1.218 . . . . 1.0 108.546 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.57 66.73 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.604 -0.685 . . . . 1.0 110.413 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 559' ' ' GLU . 0.9 OUTLIER -63.59 -45.11 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.634 -1.291 . . . . 1.0 108.81 -179.266 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.5 OUTLIER -73.54 -46.74 45.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.464 -0.773 . . . . 1.0 110.366 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.67 -41.27 88.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.953 -1.092 . . . . 1.0 110.691 -178.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.64 -31.96 72.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.583 -1.323 . . . . 1.0 108.188 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.627 -0.67 . . . . 1.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -66.14 -33.94 76.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 1.0 109.238 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 616' ' ' LEU . 2.3 mp -64.7 -42.15 95.5 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 1.0 109.8 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.9 -33.28 73.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.353 -0.842 . . . . 1.0 110.68 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.77 -45.39 21.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.84 -1.163 . . . . 1.0 108.415 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.4 83.25 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.441 -1.463 . . . . 1.0 109.441 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 564' ' ' LEU . 64.3 t -71.15 -48.52 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.304 . . . . 1.0 108.537 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 85.4 p -66.21 -37.02 84.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.166 -0.959 . . . . 1.0 108.754 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.7 m -62.79 -42.57 99.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.611 -0.681 . . . . 1.0 110.315 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 609' ' ' VAL . 18.1 p -68.0 -36.88 80.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.103 -0.998 . . . . 1.0 110.519 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.61 HG21 ' HG3' ' A' ' 685' ' ' PRO . 97.9 t -69.3 -35.83 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.948 -1.095 . . . . 1.0 109.36 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.88 82.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.097 -1.002 . . . . 1.0 108.543 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -58.24 -49.76 75.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.647 -0.658 . . . . 1.0 109.762 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.4 tp -58.04 -49.22 77.64 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.274 -0.891 . . . . 1.0 109.334 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.97 -41.57 70.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.446 -0.784 . . . . 1.0 109.336 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.92 -43.32 94.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.301 -0.874 . . . . 1.0 109.055 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.39 -41.13 94.02 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 1.0 109.458 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 575' ' ' LEU . 79.7 t . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.0 109.652 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.209 0.528 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -56.06 -37.17 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 1.0 109.334 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.54 -38.74 91.21 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.295 -0.878 . . . . 1.0 109.216 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 660' ' ' LEU . 29.6 tp -69.55 -43.43 72.97 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.32 -0.862 . . . . 1.0 108.934 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -61.85 -33.75 74.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.463 -0.773 . . . . 1.0 109.457 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.56 73.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.28 73.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 1.0 110.22 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.35 -36.38 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 1.0 109.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.93 76.9 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.91 . . . . 1.0 109.424 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.04 72.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.0 110.049 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.19 -42.36 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.0 109.845 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.512 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 24.1 m-70 -60.34 -40.5 90.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.938 -1.101 . . . . 1.0 109.074 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.85 -45.92 40.45 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 110.142 -1.183 . . . . 1.0 110.142 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.63 -39.47 77.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.333 . . . . 1.0 109.732 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.829 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.9 p -66.14 -45.51 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.074 -1.016 . . . . 1.0 109.117 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.571 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 12.2 m80 -53.35 -33.67 54.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 1.0 108.792 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 77.0 mm-40 -62.11 -32.32 72.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.699 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.9 tp -67.36 -43.54 81.2 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.357 -0.979 . . . . 1.0 108.357 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.939 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.8 OUTLIER -69.47 -35.91 76.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.701 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.44 -42.09 72.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.004 . . . . 1.0 109.788 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.604 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -66.47 -44.77 81.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.764 -1.21 . . . . 1.0 108.312 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.221 -1.4 . . . . 1.0 107.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -69.41 -45.58 68.86 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.078 -1.082 . . . . 1.0 108.078 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.0 t -58.03 -46.59 85.09 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.74 85.06 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.774 -0.578 . . . . 1.0 110.192 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 620' ' ' ALA . 74.6 t -62.47 -39.15 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.176 -0.952 . . . . 1.0 109.576 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.07 . . . . 1.0 109.077 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.6 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.16 -49.21 76.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.236 -0.915 . . . . 1.0 109.137 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -63.6 -41.43 98.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 1.0 108.752 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.35 -49.66 76.98 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.372 -0.83 . . . . 1.0 108.835 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.63 92.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.445 -0.784 . . . . 1.0 109.156 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.8 -47.37 69.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 1.0 109.804 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.5 t -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.369 -0.832 . . . . 1.0 110.155 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -59.87 -46.27 89.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.121 -0.987 . . . . 1.0 110.196 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -72.7 -41.2 65.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.027 -1.046 . . . . 1.0 110.434 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -58.48 -45.62 88.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.0 109.97 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -32.31 72.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.0 110.519 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -32.05 73.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.775 -1.203 . . . . 1.0 108.059 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 617' ' ' LEU . 43.7 mmm -68.57 -38.6 80.84 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.485 -0.931 . . . . 1.0 108.485 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.437 ' OE2' HD23 ' A' ' 617' ' ' LEU . 63.3 mm-40 -59.77 -49.6 77.08 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.88 -41.77 82.25 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.12 -0.632 . . . . 1.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.68 -40.36 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 1.0 109.876 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.939 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.3 m-85 -58.5 -43.17 88.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 1.0 109.831 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -69.93 -36.11 75.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.032 -1.042 . . . . 1.0 109.115 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 30.5 m -57.4 -41.1 79.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.885 . . . . 1.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.73 -36.4 83.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 1.0 109.706 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.23 -43.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.347 -0.846 . . . . 1.0 109.508 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.807 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.0 t -64.33 -46.23 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.047 -1.033 . . . . 1.0 108.409 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . 0.477 ' HB3' HD11 ' A' ' 677' ' ' LEU . 54.0 m-70 -58.73 -38.15 77.75 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.759 -1.201 . . . . 1.0 107.759 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.41 -49.11 12.35 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.378 -1.489 . . . . 1.0 109.378 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -55.92 -28.11 55.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.129 -1.218 . . . . 1.0 109.476 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 655' ' ' VAL . 79.6 t -63.53 -36.43 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 1.0 109.687 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 602' ' ' LEU . 4.0 tt -54.91 -38.09 67.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.0 109.516 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.84 . . . . 1.0 109.502 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.3 0.571 . . . . 1.0 110.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 66.9 mt -54.69 -24.77 23.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.366 -0.834 . . . . 1.0 109.693 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -65.87 -46.72 77.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.203 -0.936 . . . . 1.0 109.083 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.06 -38.87 73.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.373 -0.829 . . . . 1.0 109.629 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.49 -35.65 74.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 1.0 109.357 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.99 -34.92 73.97 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -71.65 -43.84 65.37 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 656' ' ' HIS . 10.7 mp -70.71 -47.58 59.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.952 -1.092 . . . . 1.0 108.798 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.02 -31.65 37.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.681 -1.229 . . . . 1.0 107.681 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.48 -47.52 48.0 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.518 -0.919 . . . . 1.0 108.518 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.08 -41.59 90.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 1.0 108.923 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.578 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.4 t -56.78 -32.88 66.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 1.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -72.11 -25.32 61.69 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.99 -1.069 . . . . 1.0 109.039 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.825 . . . . 1.0 111.394 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 613' ' ' VAL . 0.1 OUTLIER -62.78 -51.32 72.63 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.776 -1.202 . . . . 1.0 112.296 -177.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.61 ' HG3' HG21 ' A' ' 572' ' ' VAL . 24.3 Cg_exo -60.01 -44.28 30.86 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.98 1.787 . . . . 1.0 112.706 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.32 -40.54 93.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.031 -1.043 . . . . 1.0 108.454 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.38 -35.66 65.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.571 -0.706 . . . . 1.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.52 98.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.002 -1.061 . . . . 1.0 109.312 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -65.76 -41.89 91.54 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.17 -0.956 . . . . 1.0 109.427 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.26 -45.14 85.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.309 -0.869 . . . . 1.0 110.007 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.8 tp -59.32 -33.42 71.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.0 -1.062 . . . . 1.0 109.094 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.3 74.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.097 -1.075 . . . . 1.0 108.097 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 15.2 m -66.0 -41.09 91.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.543 -0.723 . . . . 1.0 109.503 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.07 -37.22 86.65 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.174 -0.954 . . . . 1.0 108.639 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.1 mp -60.01 -35.92 76.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 118.731 -1.187 . . . . 1.0 109.762 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 4.4 t60 -66.84 -37.66 84.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.974 -1.079 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . 0.417 ' C ' HD22 ' A' ' 698' ' ' ASN . . . -69.7 -16.2 71.85 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 106.404 -2.678 . . . . 1.0 106.404 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.707 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.8 OUTLIER -111.58 -1.66 15.71 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.747 0.784 . . . . 1.0 110.262 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.33 -22.12 17.83 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.735 0.779 . . . . 1.0 112.302 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 701' ' ' LEU . 22.8 t -83.63 -42.27 16.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 106.609 -1.626 . . . . 1.0 106.609 -176.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 701' ' ' LEU . 7.3 mp -98.44 -18.6 18.16 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.4 -1.438 . . . . 1.0 109.434 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 703' ' ' PHE . 47.8 tp -66.24 -32.14 73.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 1.0 111.504 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 702' ' ' LEU . 85.1 m-85 -118.69 -66.77 1.04 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.904 -1.123 . . . . 1.0 110.442 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 108.235 -1.024 . . . . 1.0 108.235 -179.238 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 556' ' ' VAL . 5.9 pt-20 . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 554' ' ' LEU . 3.5 mp -56.07 -42.58 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.345 -0.847 . . . . 1.0 110.055 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 1.0 110.068 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.446 ' H ' ' HG3' ' A' ' 553' ' ' GLU . 65.7 t -69.8 -44.41 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.819 -1.175 . . . . 1.0 108.18 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -60.49 -41.24 93.87 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.44 -0.787 . . . . 1.0 109.47 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -39.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 1.0 109.161 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' A' ' 563' ' ' ARG . 3.7 tt0 -72.13 -50.47 27.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.0 110.146 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' CE2' ' A' ' 619' ' ' PHE . 1.6 t -60.86 -42.53 98.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 1.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 560' ' ' THR . 5.0 tp -71.22 -39.68 71.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.856 -1.152 . . . . 1.0 109.113 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.83 93.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.369 -0.832 . . . . 1.0 109.234 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.513 ' NH2' ' OE2' ' A' ' 559' ' ' GLU . 95.8 mtt180 -61.32 -35.44 77.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.26 -0.9 . . . . 1.0 109.119 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.6 mp -71.67 -41.55 68.58 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.442 -0.786 . . . . 1.0 109.474 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.41 -31.52 70.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 1.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.83 -47.17 17.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.045 -1.034 . . . . 1.0 108.433 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.55 -33.4 86.39 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.666 -1.374 . . . . 1.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 564' ' ' LEU . 78.8 t -72.02 -47.88 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.263 . . . . 1.0 108.973 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 82.1 p -66.02 -37.66 86.45 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.14 -0.975 . . . . 1.0 108.489 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -42.32 99.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.687 -0.633 . . . . 1.0 110.14 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 609' ' ' VAL . 16.4 p -67.91 -34.09 75.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.0 110.753 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.777 HG13 ' OG ' ' A' ' 681' ' ' SER . 53.3 t -72.98 -35.54 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.618 -1.301 . . . . 1.0 109.17 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.6 83.64 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.015 -1.106 . . . . 1.0 108.015 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 574' ' ' HIS . 12.5 t60 -57.17 -50.61 72.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 1.0 109.288 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 579' ' ' VAL . 56.2 tp -57.52 -48.25 79.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.913 . . . . 1.0 109.339 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.5 -39.08 88.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 1.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.6 -40.7 97.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 1.0 109.511 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . 0.449 HD11 ' OD2' ' A' ' 601' ' ' ASP . 6.4 tp -64.83 -36.25 83.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.321 -0.862 . . . . 1.0 109.545 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 575' ' ' LEU . 72.0 t . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 1.0 109.554 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 73.1 t . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.077 0.465 . . . . 1.0 110.051 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.78 -41.45 86.69 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 1.0 109.452 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.449 ' OD2' HD11 ' A' ' 578' ' ' LEU . 54.2 t0 -63.15 -47.27 83.4 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.271 -0.893 . . . . 1.0 109.415 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -43.68 59.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.363 -0.836 . . . . 1.0 109.25 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -59.25 -34.2 71.94 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 1.0 109.533 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.95 70.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 1.0 110.098 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.88 -47.52 65.67 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.141 -0.974 . . . . 1.0 110.308 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 2.5 m -70.12 -35.87 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.819 -1.176 . . . . 1.0 109.32 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -66.61 -39.91 88.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 1.0 109.048 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.57 29.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 1.0 110.412 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 571' ' ' THR . 2.4 p -62.43 -41.6 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.989 -1.07 . . . . 1.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.533 ' O ' HG12 ' A' ' 613' ' ' VAL . 61.2 t60 -67.39 -31.94 72.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 1.0 109.971 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.7 -45.32 45.17 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.937 -1.265 . . . . 1.0 109.937 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.38 -39.12 74.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.337 . . . . 1.0 109.52 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.821 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.3 p -63.47 -44.09 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 1.0 108.998 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.57 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 0.7 OUTLIER -52.79 -29.62 28.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.211 -0.93 . . . . 1.0 108.569 177.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 59.3 mm-40 -64.12 -28.12 69.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 1.0 109.091 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.4 -38.78 88.27 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.594 -1.261 . . . . 1.0 107.594 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 650' ' ' TYR . 66.8 mt -59.66 -46.9 87.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.948 -1.13 . . . . 1.0 107.948 178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.44 -45.71 58.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 1.0 109.441 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.99 -46.74 83.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.203 -0.936 . . . . 1.0 108.632 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.71 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.3 -39.9 94.5 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.574 -0.704 . . . . 1.0 109.747 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.8 p -57.5 -41.17 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 1.0 108.894 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 702' ' ' LEU . . . -63.26 -43.85 96.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 1.0 109.675 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.439 HG21 HD22 ' A' ' 643' ' ' LEU . 91.2 t -65.71 -41.55 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.933 . . . . 1.0 109.683 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 1.0 109.594 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.145 0.497 . . . . 1.0 109.729 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.43 -40.51 78.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.907 . . . . 1.0 109.423 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -63.52 -44.95 92.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.076 -1.015 . . . . 1.0 108.57 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.06 78.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.416 -0.803 . . . . 1.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -38.25 79.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.377 -0.827 . . . . 1.0 109.601 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.12 -47.16 86.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 1.0 109.398 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.3 p -60.63 -41.88 95.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.0 109.382 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -64.22 -45.3 88.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 1.0 110.08 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.621 ' CD ' ' HZ1' ' A' ' 645' ' ' LYS . 99.5 mm-40 -73.59 -28.8 62.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.128 -0.982 . . . . 1.0 109.993 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.439 HD22 HG21 ' A' ' 624' ' ' VAL . 7.7 tp -67.21 -50.68 59.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.862 . . . . 1.0 110.079 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -62.46 -39.0 91.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.0 109.6 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 649' ' ' VAL . 7.2 ttpm? -64.9 -31.99 73.48 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.778 -1.193 . . . . 1.0 107.778 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 6.1 tpt -68.43 -36.69 79.42 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . 0.528 ' OE1' HD13 ' A' ' 617' ' ' LEU . 42.8 mm-40 -67.42 -50.79 57.9 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.604 0.716 . . . . 1.0 109.126 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -58.44 -41.17 84.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 645' ' ' LYS . 90.0 t -63.0 -36.54 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.796 . . . . 1.0 110.18 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.821 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.4 m-30 -62.46 -35.97 80.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.07 -1.019 . . . . 1.0 109.996 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.68 -35.17 78.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.94 -1.1 . . . . 1.0 109.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 57.7 m -59.69 -38.84 82.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -0.949 . . . . 1.0 109.395 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.509 HD22 ' SG ' ' A' ' 680' ' ' CYS . 26.2 mt -67.54 -37.59 82.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.89 . . . . 1.0 109.684 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.26 -43.54 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.122 -0.986 . . . . 1.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.7 t -63.35 -46.94 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.107 -0.996 . . . . 1.0 108.442 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -58.11 -40.17 80.53 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.84 -41.01 43.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -54.94 -21.02 10.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.236 . . . . 1.0 109.603 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 655' ' ' VAL . 91.4 t -62.62 -35.9 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.151 -0.968 . . . . 1.0 109.743 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 660' ' ' LEU . 3.8 mp -55.26 -33.32 63.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 1.0 109.308 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 60.6 t0 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 1.0 109.565 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.297 0.57 . . . . 1.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.39 -23.98 17.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 1.0 109.651 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -70.26 -45.1 67.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.179 -0.95 . . . . 1.0 109.186 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.53 -37.39 75.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.287 -0.883 . . . . 1.0 109.455 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 678' ' ' VAL . 7.7 tp -66.02 -35.68 81.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 1.0 109.449 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -57.93 -34.82 70.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.44 -1.319 . . . . 1.0 107.44 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -73.51 -39.72 64.6 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.76 -0.587 . . . . 1.0 109.6 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.2 tt -71.07 -49.56 43.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.946 -1.096 . . . . 1.0 108.936 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' A' ' 674' ' ' LEU . 56.0 t -56.24 -31.06 31.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 107.837 -1.171 . . . . 1.0 107.837 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.43 76.79 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 681' ' ' SER . 0.1 OUTLIER -66.51 -39.92 88.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 1.0 109.373 179.591 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.777 ' OG ' HG13 ' A' ' 572' ' ' VAL . 4.4 t -56.03 -33.44 64.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.268 -0.895 . . . . 1.0 110.437 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -75.86 -29.42 58.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.758 -1.214 . . . . 1.0 109.878 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.02 -46.42 62.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 1.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.429 HG23 HD11 ' A' ' 653' ' ' LEU . 0.9 OUTLIER -59.04 -49.75 91.56 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 121.031 -1.043 . . . . 1.0 112.197 -176.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.636 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.4 Cg_exo -65.14 -41.89 15.34 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.907 1.738 . . . . 1.0 112.887 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -67.24 -42.46 83.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.959 -1.088 . . . . 1.0 108.589 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . 0.637 ' OD1' HD23 ' A' ' 691' ' ' LEU . 58.1 t0 -74.58 -35.27 63.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 1.0 109.252 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.63 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 1.0 108.815 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -67.41 -40.73 85.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.462 -0.774 . . . . 1.0 109.522 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.85 -44.85 88.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 1.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 687' ' ' ASP . 2.1 mm? -59.41 -32.44 70.18 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.232 -0.917 . . . . 1.0 108.715 178.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -63.66 -32.62 74.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.0 108.776 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.3 m -66.12 -37.99 87.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.339 -0.851 . . . . 1.0 109.211 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.497 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -63.62 -40.65 97.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 109.002 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -62.1 -37.73 86.2 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.211 -0.931 . . . . 1.0 108.921 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 38.1 m80 -68.61 -44.77 73.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.432 -0.793 . . . . 1.0 110.365 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.64 -28.03 44.43 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 1.2 p30 -126.46 11.8 7.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.067 -1.255 . . . . 1.0 109.992 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.75 -32.46 63.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.072 -1.018 . . . . 1.0 109.243 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.0 p -52.56 -35.39 53.69 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.277 -0.89 . . . . 1.0 109.241 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 4.4 mp -88.39 -40.22 13.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.231 -0.918 . . . . 1.0 110.055 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 623' ' ' ALA . 54.1 mt -56.5 -33.53 66.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.968 -1.082 . . . . 1.0 108.367 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.9 m-85 -125.15 -71.83 0.69 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.399 -0.813 . . . . 1.0 109.48 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 30.2 ttm-85 . . . . . 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.941 . . . . 1.0 109.348 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.808 HD13 ' C ' ' A' ' 554' ' ' LEU . 2.9 tm? -54.85 -42.95 72.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.746 . . . . 1.0 109.961 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.41 -35.24 73.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 1.0 110.288 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.522 ' O ' ' OG1' ' A' ' 560' ' ' THR . 80.4 t -76.02 -39.0 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.667 -1.271 . . . . 1.0 107.815 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.87 79.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.956 -0.757 . . . . 1.0 108.956 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 24.9 m -71.09 -36.62 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 1.0 108.828 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.59 -51.86 17.92 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 1.0 109.984 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.11 -44.74 83.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.922 -1.111 . . . . 1.0 110.067 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' A' ' 565' ' ' GLN . 1.0 OUTLIER -59.74 -40.47 88.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.021 -1.049 . . . . 1.0 109.406 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.81 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.29 -0.881 . . . . 1.0 109.855 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -35.95 81.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 1.0 109.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 568' ' ' VAL . 8.4 mp -69.23 -41.14 77.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.0 110.052 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . 0.908 HE22 HD13 ' A' ' 616' ' ' LEU . 3.7 mp0 -61.39 -33.21 73.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 1.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -78.17 -46.15 21.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.173 -0.954 . . . . 1.0 108.648 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 571' ' ' THR . . . -65.0 -32.99 86.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.67 -1.372 . . . . 1.0 109.67 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.3 t -69.33 -49.29 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.043 -1.269 . . . . 1.0 108.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 30.0 m -67.15 -38.41 85.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.185 -0.947 . . . . 1.0 108.866 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 84.2 m -63.36 -43.77 96.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.461 -0.774 . . . . 1.0 109.739 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.4 p -67.47 -32.68 73.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 1.0 109.886 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.5 t -66.07 -37.7 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.252 -0.905 . . . . 1.0 109.566 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.68 82.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.092 -1.005 . . . . 1.0 108.671 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.51 -45.18 94.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.712 -0.618 . . . . 1.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 579' ' ' VAL . 6.0 tp -54.84 -44.54 74.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.337 -0.852 . . . . 1.0 109.561 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -41.42 65.73 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.378 -0.826 . . . . 1.0 109.196 178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -59.33 -41.52 89.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 1.0 109.215 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 1.0 109.412 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 575' ' ' LEU . 59.1 t . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.932 . . . . 1.0 109.53 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 77.3 t . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.23 0.538 . . . . 1.0 109.643 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -56.51 -43.38 79.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.92 . . . . 1.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.81 -42.51 99.75 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.376 -0.827 . . . . 1.0 109.148 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 602' ' ' LEU . 31.6 tp -70.25 -42.27 72.4 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.401 -0.812 . . . . 1.0 109.045 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.84 -35.39 78.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.338 -0.851 . . . . 1.0 109.831 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.95 75.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 110.019 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.61 87.25 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.902 . . . . 1.0 110.168 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 607' ' ' ALA . 5.3 p -68.97 -38.25 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.106 -0.996 . . . . 1.0 109.632 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -58.49 -35.39 72.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.253 -0.904 . . . . 1.0 109.555 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.08 84.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.937 . . . . 1.0 109.691 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 86.6 t -63.02 -44.23 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.071 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.697 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 19.9 m80 -63.43 -37.04 85.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.353 -0.842 . . . . 1.0 109.963 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.98 98.63 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.2 84.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.843 -1.387 . . . . 1.0 109.42 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' A' ' 650' ' ' TYR . 68.8 t -65.59 -46.2 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 1.0 109.382 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -53.72 -36.24 62.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.344 -0.848 . . . . 1.0 109.205 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.39 -35.5 77.67 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.908 HD13 HE22 ' A' ' 565' ' ' GLN . 55.0 tp -67.52 -41.04 85.02 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.48 -1.304 . . . . 1.0 107.48 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.47 98.4 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.923 -1.14 . . . . 1.0 107.923 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.73 -45.7 57.38 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.344 -0.848 . . . . 1.0 109.714 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.49 -48.0 79.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.161 -0.962 . . . . 1.0 108.864 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.41 91.87 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.236 -0.915 . . . . 1.0 108.628 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -42.45 89.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.533 -0.73 . . . . 1.0 109.706 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.7 p -58.18 -37.37 74.61 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.191 -0.943 . . . . 1.0 108.507 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.91 77.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 1.0 109.531 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 625' ' ' SER . 54.8 t -54.86 -48.26 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.274 -0.891 . . . . 1.0 109.68 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 624' ' ' VAL . 3.0 m . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.133 -0.979 . . . . 1.0 109.265 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.81 -45.3 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.0 109.496 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . 0.49 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 19.8 t60 -62.94 -42.4 99.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.01 77.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.719 -0.845 . . . . 1.0 108.719 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -44.9 90.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.377 -0.827 . . . . 1.0 109.311 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 698' ' ' ASN . 2.5 tt -60.18 -46.61 89.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.0 109.623 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . 0.49 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 18.6 m -57.48 -39.63 76.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 1.0 109.477 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -59.95 -45.6 92.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.838 . . . . 1.0 110.346 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 26.5 mt-30 -74.87 -31.31 61.57 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.877 -1.139 . . . . 1.0 110.416 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.31 -51.16 47.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.006 -1.059 . . . . 1.0 110.054 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -63.67 -36.0 82.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.011 -1.055 . . . . 1.0 109.008 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -64.06 -36.32 83.63 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.896 -1.15 . . . . 1.0 107.896 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 33.8 tpp -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.174 -1.046 . . . . 1.0 108.174 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.16 -52.03 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.57 0.7 . . . . 1.0 109.154 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . 0.733 ' O ' HG23 ' A' ' 652' ' ' THR . 13.3 t0 -65.65 -42.87 90.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.506 -0.746 . . . . 1.0 109.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 652' ' ' THR . 13.0 t -64.05 -45.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.378 -0.826 . . . . 1.0 109.965 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.718 ' CE1' HG11 ' A' ' 613' ' ' VAL . 22.3 t80 -70.31 -37.3 74.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.078 -1.014 . . . . 1.0 110.132 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -68.91 -32.62 72.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.832 -1.168 . . . . 1.0 109.403 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 648' ' ' ASP . 24.6 p -65.28 -34.82 79.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.06 -1.025 . . . . 1.0 108.793 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.729 HD21 ' CB ' ' A' ' 680' ' ' CYS . 6.0 mt -69.11 -36.69 77.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.511 -0.743 . . . . 1.0 109.362 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.63 -44.3 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.976 . . . . 1.0 109.27 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.4 t -68.54 -46.14 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -34.77 78.34 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 107.858 -1.164 . . . . 1.0 107.858 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.66 -49.4 18.61 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -56.86 -27.6 60.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.139 -1.212 . . . . 1.0 109.519 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' VAL . 76.4 t -64.93 -39.84 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.948 . . . . 1.0 109.688 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -50.61 -23.5 2.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 1.0 109.393 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 57.4 t0 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.437 179.804 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . 0.434 ' OG1' ' OD1' ' A' ' 672' ' ' ASP . 76.9 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.464 -0.569 . . . . 1.0 109.464 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 674' ' ' LEU . 73.4 mt -56.28 -29.86 61.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.258 -0.901 . . . . 1.0 109.273 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 20.2 p-10 -66.6 -47.05 73.93 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.377 -0.827 . . . . 1.0 109.056 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . 0.553 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 1.6 m-20 -58.3 -31.62 67.68 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.463 -0.773 . . . . 1.0 109.46 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 671' ' ' LEU . 88.5 mt -63.47 -38.0 89.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.319 -0.863 . . . . 1.0 109.238 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -62.91 -35.35 79.78 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.157 -1.423 . . . . 1.0 107.157 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -72.59 -39.88 67.01 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.12 -45.8 66.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.0 108.323 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.36 -31.63 38.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.79 -1.189 . . . . 1.0 107.79 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.21 63.61 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.885 -0.784 . . . . 1.0 108.885 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.729 ' CB ' HD21 ' A' ' 653' ' ' LEU . 82.9 m -64.69 -37.24 86.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.856 . . . . 1.0 109.516 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.628 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 18.2 t -57.3 -35.78 70.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.359 -0.838 . . . . 1.0 111.464 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.413 HH11 ' HB2' ' A' ' 682' ' ' ARG . 18.7 mtp-105 -76.81 -26.9 54.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.354 -1.466 . . . . 1.0 110.464 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.42 54.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.075 -1.016 . . . . 1.0 111.651 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.3 OUTLIER -62.15 -44.11 88.01 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 120.415 -1.428 . . . . 1.0 112.508 -177.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.628 ' CD ' ' O ' ' A' ' 681' ' ' SER . 27.9 Cg_endo -62.46 -42.29 28.18 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.236 1.291 . . . . 1.0 112.1 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -38.23 84.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.319 -0.863 . . . . 1.0 109.146 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.93 -31.97 63.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.1 -41.5 92.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.201 -0.937 . . . . 1.0 108.809 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.25 95.81 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.445 -0.785 . . . . 1.0 109.963 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -72.56 -42.79 64.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.0 109.922 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . 0.43 HD12 HE21 ' A' ' 642' ' ' GLN . 10.3 tp -59.33 -35.61 74.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 1.0 108.434 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.07 79.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.381 -0.824 . . . . 1.0 108.874 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.1 m -65.93 -39.03 90.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.172 -0.955 . . . . 1.0 109.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.9 -38.01 87.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.0 108.812 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.9 mp -60.65 -37.08 80.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.189 -1.041 . . . . 1.0 108.189 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -48.71 70.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.559 -0.713 . . . . 1.0 110.145 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.13 57.92 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.49 7.6 13.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.944 -1.327 . . . . 1.0 109.602 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.5 -30.22 29.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.144 -0.972 . . . . 1.0 109.364 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 83.3 p -58.35 -39.41 79.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.0 109.582 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 701' ' ' LEU . 96.8 mt -88.62 -43.58 11.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.938 . . . . 1.0 110.313 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.08 -33.91 58.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.002 -1.061 . . . . 1.0 108.434 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.38 -101.71 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 1.0 109.414 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.451 -0.781 . . . . 1.0 110.124 -179.559 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.75 -34.9 70.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.525 -0.734 . . . . 1.0 110.423 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.57 -40.4 92.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 1.0 110.448 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 560' ' ' THR . 90.2 t -73.37 -41.77 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.475 -1.391 . . . . 1.0 107.777 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.73 91.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.371 -0.831 . . . . 1.0 109.497 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -33.78 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.29 -0.881 . . . . 1.0 110.442 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.73 -50.99 15.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.82 -1.175 . . . . 1.0 110.063 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.46 HG23 ' NH2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -63.16 -41.76 99.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.428 -0.795 . . . . 1.0 109.669 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.56 -40.35 94.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.216 -0.928 . . . . 1.0 109.476 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.11 -34.29 68.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.505 -0.747 . . . . 1.0 109.917 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.46 ' NH2' HG23 ' A' ' 560' ' ' THR . 50.3 mtm180 -64.58 -39.31 93.5 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.121 -0.987 . . . . 1.0 108.61 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.0 mp -61.75 -44.02 97.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.68 -0.638 . . . . 1.0 110.067 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -61.2 -35.37 76.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.315 -0.865 . . . . 1.0 109.746 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.65 -49.39 13.28 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.202 -0.937 . . . . 1.0 108.653 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.87 -33.36 85.13 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 564' ' ' LEU . 85.2 t -72.78 -49.56 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.987 -1.302 . . . . 1.0 108.733 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.1 p -66.76 -38.48 86.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -0.969 . . . . 1.0 109.059 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 89.0 m -62.01 -41.22 97.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.423 -0.798 . . . . 1.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 61.6 p -66.81 -33.12 74.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.134 -0.979 . . . . 1.0 109.688 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.657 HG13 ' OG ' ' A' ' 681' ' ' SER . 76.9 t -67.69 -38.04 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.0 109.22 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.87 90.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 1.0 109.245 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -58.51 -50.75 72.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.232 -0.918 . . . . 1.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.2 tt -55.87 -48.07 76.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.256 -0.903 . . . . 1.0 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.96 -38.97 72.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 1.0 109.397 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.48 -39.1 89.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 1.0 109.093 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.4 -37.99 74.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.806 . . . . 1.0 109.555 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 575' ' ' LEU . 78.3 t . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.0 109.506 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.77 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.099 -1.001 . . . . 1.0 108.869 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.48 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.368 -0.833 . . . . 1.0 109.178 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 674' ' ' LEU . 1.1 tp -74.38 -42.77 58.74 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.338 -0.851 . . . . 1.0 108.923 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.534 -0.729 . . . . 1.0 109.342 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.25 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 1.0 110.142 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.43 56.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.158 -0.964 . . . . 1.0 110.146 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 610' ' ' HIS . 10.7 p -68.34 -36.7 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.987 -1.071 . . . . 1.0 109.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -63.6 -35.58 80.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.0 109.669 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.4 -50.76 66.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 1.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.99 -43.13 97.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.538 -0.726 . . . . 1.0 109.321 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.68 ' CD2' HG22 ' A' ' 606' ' ' VAL . 13.2 m-70 -63.5 -40.81 98.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 1.0 109.762 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.99 -41.43 99.42 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 110.053 -1.219 . . . . 1.0 110.053 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.93 73.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.858 -1.378 . . . . 1.0 109.669 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.941 HG11 ' CD1' ' A' ' 650' ' ' TYR . 77.0 t -63.95 -46.7 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.0 109.081 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -36.22 50.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.85 . . . . 1.0 108.948 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.55 74.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.234 -0.916 . . . . 1.0 108.986 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -71.03 -44.12 66.48 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.84 -1.17 . . . . 1.0 107.84 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -42.73 95.71 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.921 -1.14 . . . . 1.0 107.921 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.98 -45.14 62.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.0 110.186 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.75 -47.55 83.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.966 -1.084 . . . . 1.0 108.911 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.09 92.93 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.15 -45.92 92.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.546 -0.721 . . . . 1.0 109.92 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.1 t -59.12 -38.94 80.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.177 -0.952 . . . . 1.0 108.938 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.98 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.0 109.872 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 643' ' ' LEU . 98.3 t -64.13 -42.62 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 1.0 109.462 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.329 -0.857 . . . . 1.0 109.971 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.611 -0.515 . . . . 1.0 109.611 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 697' ' ' GLY . 67.6 mt -59.13 -46.55 88.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.0 109.43 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.0 -46.03 90.82 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.226 -1.027 . . . . 1.0 108.226 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.621 -0.881 . . . . 1.0 108.621 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.65 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.573 -0.705 . . . . 1.0 109.83 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.93 -47.27 85.65 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.273 -0.892 . . . . 1.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 82.8 p -59.16 -47.35 85.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0 109.506 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -64.07 -43.3 95.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.592 -0.693 . . . . 1.0 109.702 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.442 ' C ' ' NE2' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -70.19 -30.06 67.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 1.0 110.113 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 624' ' ' VAL . 29.1 tp -66.62 -50.53 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 1.0 110.186 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.81 -37.78 88.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.139 -0.976 . . . . 1.0 108.963 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -63.69 -34.05 77.01 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.026 -1.102 . . . . 1.0 108.026 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 646' ' ' MET . 0.0 OUTLIER -68.1 -37.88 81.69 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.652 -0.87 . . . . 1.0 108.652 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.44 -51.59 65.05 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.696 0.76 . . . . 1.0 109.072 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.17 -43.39 87.02 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.74 -0.6 . . . . 1.0 109.502 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.11 -45.01 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 1.0 110.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.941 ' CD1' HG11 ' A' ' 613' ' ' VAL . 29.9 t80 -69.82 -34.46 73.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.03 -1.044 . . . . 1.0 109.777 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -72.89 -40.1 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.015 -1.053 . . . . 1.0 109.817 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 656' ' ' HIS . 85.1 m -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.012 . . . . 1.0 109.885 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 49.5 mt -71.77 -34.38 69.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.038 . . . . 1.0 110.087 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.9 t -60.72 -43.59 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 1.0 109.251 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 659' ' ' VAL . 79.3 t -67.36 -44.28 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.913 -1.117 . . . . 1.0 108.609 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 652' ' ' THR . 63.5 m-70 -59.75 -40.16 87.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 107.145 -1.428 . . . . 1.0 107.145 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.55 16.0 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.646 -1.382 . . . . 1.0 109.646 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -59.35 -28.25 66.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.136 -1.214 . . . . 1.0 110.415 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 655' ' ' VAL . 54.1 t -63.85 -37.8 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 1.0 109.885 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.68 -30.16 20.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.0 109.648 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 54.9 t0 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.282 -0.886 . . . . 1.0 109.674 179.814 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 671' ' ' LEU . 4.0 mm? -62.68 -28.29 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 1.0 109.445 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -67.84 -45.53 74.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.286 -0.884 . . . . 1.0 109.411 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . 0.504 ' OD2' ' NH2' ' A' ' 676' ' ' ARG . 5.4 t0 -56.93 -36.77 70.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.241 -0.912 . . . . 1.0 109.543 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 602' ' ' LEU . 6.3 mt -62.73 -41.27 99.09 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 1.0 109.692 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -57.7 -36.7 72.34 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.788 -1.189 . . . . 1.0 107.788 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . 0.504 ' NH2' ' OD2' ' A' ' 673' ' ' ASP . 24.2 ttp-105 -72.71 -39.89 66.61 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.371 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.9 tt -70.79 -49.35 47.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.071 -1.018 . . . . 1.0 108.836 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.82 -31.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . 0.461 ' O ' ' NH1' ' A' ' 682' ' ' ARG . . . -69.01 -39.43 79.31 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.549 -0.719 . . . . 1.0 109.149 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -43.95 71.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.657 ' OG ' HG13 ' A' ' 572' ' ' VAL . 7.4 t -57.88 -33.07 68.32 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.094 -1.004 . . . . 1.0 111.03 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 679' ' ' ALA . 14.4 ptt-85 -77.59 -30.63 52.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.445 -1.409 . . . . 1.0 109.594 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -67.54 -46.99 71.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.125 -0.984 . . . . 1.0 110.719 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -55.58 -54.01 56.11 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.055 -1.028 . . . . 1.0 112.315 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.0 Cg_endo -61.98 -42.92 27.49 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.016 1.81 . . . . 1.0 112.758 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -68.33 -44.02 76.25 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.125 -0.984 . . . . 1.0 108.465 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.78 -33.92 68.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -0.808 . . . . 1.0 109.051 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -59.21 -40.22 85.12 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.13 -0.981 . . . . 1.0 108.469 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -68.17 -44.99 74.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.556 -0.715 . . . . 1.0 109.396 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.12 -46.21 71.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.345 -0.847 . . . . 1.0 109.423 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -32.35 68.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.174 -0.954 . . . . 1.0 108.445 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.28 -31.93 73.32 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.373 -0.829 . . . . 1.0 109.19 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.8 t -66.22 -37.15 84.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.337 -0.852 . . . . 1.0 110.318 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.417 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.1 m-85 -63.73 -40.64 97.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.841 -1.162 . . . . 1.0 108.906 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 702' ' ' LEU . 4.3 mm? -62.24 -37.8 86.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.319 -0.863 . . . . 1.0 109.143 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 59.5 m-70 -71.65 -44.12 64.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.248 -0.908 . . . . 1.0 110.874 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . 0.52 ' C ' HD13 ' A' ' 635' ' ' LEU . . . -54.74 -27.76 44.36 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 695' ' ' LEU . 2.3 p30 -116.55 10.96 14.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -1.115 . . . . 1.0 109.788 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.45 -31.44 61.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.981 . . . . 1.0 109.825 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . 0.403 ' O ' ' CA ' ' A' ' 704' ' ' ARG . 83.5 p -58.5 -39.36 79.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.063 -1.023 . . . . 1.0 108.728 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 97.8 mt -87.97 -46.34 9.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 1.0 110.429 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 695' ' ' LEU . 71.1 mt -55.6 -32.89 63.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.821 -1.174 . . . . 1.0 108.9 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.558 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 10.0 m-85 -125.67 -66.68 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.128 -0.982 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.3 -0.875 . . . . 1.0 109.525 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' GLU . . . . . 0.52 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 54.0 mp0 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 558' ' ' VAL . 2.5 pp -61.21 -35.71 77.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.105 -0.997 . . . . 1.0 110.509 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.76 -36.86 83.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.949 -1.094 . . . . 1.0 110.418 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' VAL . . . . . 0.512 ' O ' ' OG1' ' A' ' 560' ' ' THR . 72.2 t -77.45 -43.58 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.721 -1.237 . . . . 1.0 107.708 178.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 703' ' ' PHE . . . -59.11 -43.94 91.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.542 -0.724 . . . . 1.0 109.562 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 554' ' ' LEU . 13.8 m -70.41 -31.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 1.0 109.389 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.46 -47.98 37.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 1.0 109.925 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.8 -42.27 97.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.929 -1.107 . . . . 1.0 109.591 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -57.57 -34.38 69.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.092 -1.005 . . . . 1.0 109.198 179.186 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.47 84.06 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.443 -0.785 . . . . 1.0 109.548 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -61.84 -36.09 80.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.257 -0.902 . . . . 1.0 108.897 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -61.57 -40.85 96.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.455 -0.778 . . . . 1.0 109.215 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.07 -33.75 73.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.307 -0.87 . . . . 1.0 109.692 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -79.06 -51.16 9.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.992 -1.068 . . . . 1.0 108.497 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.49 -34.84 91.05 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 564' ' ' LEU . 79.2 t -71.05 -48.62 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -1.21 . . . . 1.0 108.887 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.0 p -66.81 -37.15 83.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.268 -0.895 . . . . 1.0 109.043 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 95.2 m -65.5 -44.29 87.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.633 -0.667 . . . . 1.0 110.904 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 567' ' ' GLY . 54.5 p -69.49 -35.21 75.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.024 -1.047 . . . . 1.0 110.355 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . 0.478 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 85.4 t -70.03 -37.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.898 -1.126 . . . . 1.0 109.563 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.13 82.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.169 -0.957 . . . . 1.0 108.647 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.7 -48.82 79.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 1.0 109.433 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.0 tp -57.34 -48.24 79.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.42 -0.8 . . . . 1.0 109.129 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -40.3 74.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.521 -0.737 . . . . 1.0 109.148 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -43.07 99.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 1.0 109.101 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 36.5 tp -64.34 -43.34 94.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.308 -0.87 . . . . 1.0 109.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.161 -0.962 . . . . 1.0 109.556 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.096 0.474 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.1 -45.73 91.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.041 -1.037 . . . . 1.0 109.694 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 602' ' ' LEU . 2.9 p30 -63.16 -35.42 80.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.349 -0.844 . . . . 1.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.609 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.0 tt -77.28 -43.14 34.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 1.0 108.994 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -68.27 -39.11 82.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.347 -0.846 . . . . 1.0 109.522 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.03 -34.09 74.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 1.0 109.813 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.64 77.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.16 -0.962 . . . . 1.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.22 -36.52 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.975 -1.078 . . . . 1.0 109.507 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.61 75.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.72 95.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 1.0 109.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 1.2 t -61.8 -43.7 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 1.0 109.278 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 614' ' ' HIS . 4.9 m80 -59.24 -29.04 67.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 1.0 109.319 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -67.62 -43.89 84.02 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.08 76.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.812 -1.405 . . . . 1.0 110.277 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' VAL . . . . . 0.568 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.1 OUTLIER -72.11 -43.27 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 610' ' ' HIS . 43.5 m170 -55.01 -37.03 66.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 1.0 108.977 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.49 66.41 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.366 -0.976 . . . . 1.0 108.366 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' LEU . . . . . 0.639 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.5 tt -70.4 -44.76 67.32 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.379 -0.971 . . . . 1.0 108.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.938 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -60.77 -35.73 77.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.367 -0.833 . . . . 1.0 108.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.46 -44.2 65.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.186 -0.946 . . . . 1.0 109.897 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' PHE . . . . . 0.564 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.7 m-85 -62.56 -45.81 91.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.031 -1.043 . . . . 1.0 109.132 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.5 -38.63 90.67 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -42.11 73.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.713 -0.617 . . . . 1.0 109.651 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.6 t -60.64 -46.48 90.15 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.24 -0.913 . . . . 1.0 108.775 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.8 80.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.409 -0.807 . . . . 1.0 109.373 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 620' ' ' ALA . 76.0 t -60.99 -48.14 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.454 -0.779 . . . . 1.0 109.803 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 624' ' ' VAL . 9.4 p . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.92 . . . . 1.0 109.675 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 635' ' ' LEU . 9.6 mp -60.37 -47.32 86.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.2 -0.937 . . . . 1.0 109.211 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -61.88 -46.13 90.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.209 -0.932 . . . . 1.0 108.514 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.79 75.12 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.782 -0.821 . . . . 1.0 108.782 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' LYS . . . . . 0.526 ' HZ2' ' HB2' ' A' ' 638' ' ' LYS . 0.0 OUTLIER -63.77 -38.29 90.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 1.0 109.157 178.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' LEU . . . . . 0.515 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.8 tt -59.81 -47.45 85.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 1.0 109.484 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 24.5 m -57.91 -41.91 83.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.873 . . . . 1.0 109.755 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.01 -45.31 95.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 1.0 109.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' GLN . . . . . 0.533 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 27.3 mt-30 -72.69 -30.5 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 1.0 110.159 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -50.84 61.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.129 -0.982 . . . . 1.0 109.304 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.89 -36.21 83.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -0.925 . . . . 1.0 108.849 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -63.03 -35.02 78.82 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.664 -1.235 . . . . 1.0 107.664 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 3.4 tpt -70.06 -37.65 75.55 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.383 -0.969 . . . . 1.0 108.383 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.14 -49.82 74.33 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.667 0.746 . . . . 1.0 109.081 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.72 -42.71 68.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.668 -0.645 . . . . 1.0 109.955 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.47 -36.0 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 1.0 109.628 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.938 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.1 m-85 -62.3 -51.68 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 1.0 109.796 -179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -68.81 -36.84 78.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 1.0 109.549 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 84.8 m -57.71 -41.49 81.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.207 -0.933 . . . . 1.0 109.182 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.774 HD21 ' CB ' ' A' ' 680' ' ' CYS . 41.9 mt -69.26 -41.56 76.74 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 1.0 109.179 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.83 -44.1 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -0.863 . . . . 1.0 109.989 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.6 -46.43 89.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.975 -1.078 . . . . 1.0 108.444 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.58 -41.49 90.33 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.277 -1.008 . . . . 1.0 108.277 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.9 -44.55 55.49 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -58.03 -40.12 80.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.01 -1.288 . . . . 1.0 109.452 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.91 -34.46 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -0.843 . . . . 1.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.71 -32.55 63.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.939 -1.101 . . . . 1.0 109.208 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 63.5 t0 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 1.0 109.6 -179.852 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 671' ' ' LEU . 1.4 t . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.2 0.524 . . . . 1.0 109.651 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' LEU . . . . . 0.488 ' H ' HG23 ' A' ' 670' ' ' THR . 2.5 mm? -62.2 -26.82 68.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.0 109.211 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 22.6 p-10 -67.28 -43.06 82.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 1.0 109.517 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 0.2 OUTLIER -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 1.0 109.684 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.08 -43.63 74.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 1.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.06 -37.96 78.28 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.521 -1.288 . . . . 1.0 107.521 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -71.45 -40.28 70.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.703 -0.623 . . . . 1.0 109.504 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.12 -49.39 44.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.052 -1.03 . . . . 1.0 108.673 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.98 -32.91 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.08 -46.81 66.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.481 -0.762 . . . . 1.0 109.238 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.774 ' CB ' HD21 ' A' ' 653' ' ' LEU . 77.6 m -65.75 -39.43 91.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.27 -0.894 . . . . 1.0 109.691 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 0.1 OUTLIER -54.65 -34.32 62.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.193 -0.942 . . . . 1.0 110.575 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -78.8 -28.48 44.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.657 -1.277 . . . . 1.0 109.674 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.42 63.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.135 -0.978 . . . . 1.0 110.446 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -60.45 -50.05 87.41 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.157 -0.965 . . . . 1.0 112.338 -175.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.8 Cg_exo -65.38 -41.93 14.41 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.604 1.536 . . . . 1.0 112.678 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -40.09 92.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.909 -1.119 . . . . 1.0 108.682 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -75.77 -35.88 60.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.516 -0.74 . . . . 1.0 109.586 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.06 95.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.1 . . . . 1.0 108.87 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.433 -0.792 . . . . 1.0 109.376 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.82 -43.04 72.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 1.0 108.922 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.69 -36.2 78.18 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -35.87 77.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 1.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.4 m -68.15 -35.16 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 1.0 109.726 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.533 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.2 m-30 -65.03 -42.13 94.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 1.0 108.789 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.9 mp -62.76 -35.62 80.41 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.251 -0.906 . . . . 1.0 108.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 52.3 m170 -70.48 -40.68 73.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -0.81 . . . . 1.0 109.654 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.68 -26.17 64.48 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.166 -1.574 . . . . 1.0 109.166 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' ASN . . . . . 0.515 HD21 ' CD1' ' A' ' 639' ' ' LEU . 30.7 p30 -119.34 3.29 11.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.464 -1.021 . . . . 1.0 109.531 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -49.74 -39.89 39.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 1.0 109.396 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 700' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 704' ' ' ARG . 36.4 m -51.22 -35.23 35.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.223 -0.923 . . . . 1.0 109.72 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 95.0 mt -87.29 -41.07 13.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 1.0 110.796 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 702' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 698' ' ' ASN . 25.8 mt -56.43 -32.96 65.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.878 -1.139 . . . . 1.0 108.864 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 703' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 557' ' ' ALA . 8.8 m-85 -116.53 -75.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 1.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 704' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 700' ' ' SER . 60.6 ttt-85 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.328 -0.858 . . . . 1.0 109.256 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 547' ' ' SER . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.423 2.529 . . . . 1.0 119.423 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 546' ' ' GLY . 8.1 m 48.96 94.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -1.15 . . . . 1.0 109.498 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -53.91 -34.29 51.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.627 -1.389 . . . . 1.0 109.627 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -80.71 137.6 36.3 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.318 -1.107 . . . . 1.0 109.547 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.58 154.74 71.29 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 1.0 109.553 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.96 154.93 71.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.904 2.403 . . . . 1.0 112.3 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 12.6 mt -103.95 145.21 30.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.831 . . . . 1.0 109.191 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.07 160.46 15.29 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.306 -0.871 . . . . 1.0 109.116 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.482 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.6 tp -57.71 -41.28 81.43 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.251 -0.906 . . . . 1.0 109.561 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.14 -41.02 97.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.118 -0.989 . . . . 1.0 109.799 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.518 ' O ' ' OG1' ' A' ' 560' ' ' THR . 54.5 t -69.87 -47.0 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 107.647 -1.242 . . . . 1.0 107.647 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.47 82.25 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.523 -0.918 . . . . 1.0 108.523 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.0 t -70.3 -39.27 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.391 -0.818 . . . . 1.0 108.962 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.88 -51.93 23.25 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.38 -0.825 . . . . 1.0 110.164 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.3 OUTLIER -62.95 -45.97 89.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.899 -1.125 . . . . 1.0 109.944 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.89 -38.27 85.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.92 -1.113 . . . . 1.0 109.79 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.79 -35.23 70.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 1.0 109.732 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -65.01 -39.48 93.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 1.0 108.897 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.6 mp -61.81 -42.82 99.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.569 -0.707 . . . . 1.0 109.919 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.88 -34.54 76.22 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 1.0 109.717 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -77.85 -48.55 16.2 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.791 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.54 -33.15 83.83 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.273 -1.531 . . . . 1.0 109.273 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 572' ' ' VAL . 52.3 t -74.86 -48.75 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.135 -1.215 . . . . 1.0 108.603 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 24.3 t -64.67 -31.68 73.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.278 -0.889 . . . . 1.0 108.757 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 574' ' ' HIS . 59.8 m -76.04 -40.54 53.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.627 -0.67 . . . . 1.0 109.606 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 567' ' ' GLY . 30.7 p -69.18 -45.41 70.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 1.0 109.472 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 568' ' ' VAL . 26.6 m -60.58 -34.76 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 1.0 109.091 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 572' ' ' VAL . . . -59.13 -37.61 77.67 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 570' ' ' THR . 3.2 m-70 -60.45 -43.61 96.7 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.601 -0.687 . . . . 1.0 109.673 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.5 tp -54.61 -45.4 73.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 1.0 109.836 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -36.48 71.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 1.0 109.38 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -63.63 -37.97 89.34 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.22 -0.925 . . . . 1.0 109.263 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.45 -35.83 68.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.849 . . . . 1.0 109.525 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 575' ' ' LEU . 56.4 t -56.5 -38.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 1.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -53.78 -38.15 58.83 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.512 -1.435 . . . . 1.0 109.512 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 90.6 p -65.65 -22.65 66.67 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.269 -1.136 . . . . 1.0 109.612 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -85.1 24.96 1.02 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 1.0 109.444 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 50.1 m -57.0 -36.8 70.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.26 -0.9 . . . . 1.0 109.502 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -145.46 165.46 27.89 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.51 -1.436 . . . . 1.0 109.51 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.21 -23.74 66.15 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.921 2.414 . . . . 1.0 112.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 78.8 125.02 0.4 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.579 -1.408 . . . . 1.0 109.579 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 85.84 177.83 50.16 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.556 -1.418 . . . . 1.0 109.556 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . 0.411 ' CD1' ' N ' ' A' ' 588' ' ' TRP . 0.0 OUTLIER -94.48 -62.98 1.23 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.25 -1.147 . . . . 1.0 109.364 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -123.28 142.2 51.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 1.0 109.398 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 591' ' ' THR . 15.3 t -149.42 58.62 1.01 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.203 -0.936 . . . . 1.0 109.473 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 590' ' ' SER . 39.0 p 46.27 -169.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.269 -0.894 . . . . 1.0 109.447 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 57.0 p -69.49 160.21 31.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 1.0 109.489 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 48.35 69.75 2.51 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 1.0 109.42 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.91 -24.99 33.77 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.799 2.332 . . . . 1.0 112.141 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -98.61 141.62 31.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -0.956 . . . . 1.0 109.199 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 2.0 mt-10 176.43 -46.85 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 121.311 -0.868 . . . . 1.0 110.096 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 23.1 Cg_exo -56.79 -43.44 54.57 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.217 1.945 . . . . 1.0 113.857 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.43 ' HD2' ' H ' ' A' ' 596' ' ' GLU . 84.0 Cg_endo -81.53 10.68 3.36 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.73 1.62 . . . . 1.0 112.157 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 596' ' ' GLU . 45.1 t -59.83 -37.16 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.383 -0.823 . . . . 1.0 109.842 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.71 -41.95 78.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.175 -0.953 . . . . 1.0 109.45 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.304 -0.872 . . . . 1.0 109.244 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 606' ' ' VAL . 32.9 tp -71.84 -43.49 65.45 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.382 -0.824 . . . . 1.0 109.084 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.88 -34.5 76.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.372 -0.83 . . . . 1.0 109.92 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.08 -40.33 68.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.894 . . . . 1.0 110.54 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.53 -46.62 59.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.029 -1.044 . . . . 1.0 110.252 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 610' ' ' HIS . 11.7 p -62.14 -40.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 120.976 -1.078 . . . . 1.0 109.38 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.473 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -69.54 -35.47 75.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0 109.506 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.37 -47.3 64.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 1.0 109.73 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.486 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.5 OUTLIER -62.39 -42.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.112 -0.993 . . . . 1.0 109.158 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.688 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 29.2 m-70 -63.06 -37.92 89.12 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.311 -0.868 . . . . 1.0 109.588 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.41 -41.18 96.91 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 110.251 -1.14 . . . . 1.0 110.251 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.61 77.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.909 -1.348 . . . . 1.0 109.746 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.625 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.7 t -65.79 -47.12 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 1.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.19 -38.23 62.65 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.401 -0.963 . . . . 1.0 108.401 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.11 -32.32 72.0 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.227 -1.027 . . . . 1.0 108.227 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.673 ' CD1' ' HB1' ' A' ' 688' ' ' ALA . 2.4 tt -71.06 -42.42 69.45 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.603 -1.258 . . . . 1.0 107.603 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -40.88 94.5 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.765 -1.198 . . . . 1.0 107.765 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.12 -45.15 61.68 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.354 -0.841 . . . . 1.0 109.7 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -61.75 -47.81 83.55 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 1.0 109.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -63.17 -38.58 91.73 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.412 -0.958 . . . . 1.0 108.412 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -47.42 83.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.747 -0.596 . . . . 1.0 109.809 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 49.4 m -58.83 -42.04 88.31 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.222 -0.924 . . . . 1.0 109.317 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.95 78.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 1.0 109.644 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 620' ' ' ALA . 62.3 t -60.58 -38.1 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 1.0 109.481 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 34.1 p -67.33 166.05 15.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 1.0 109.465 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 60.25 6.43 1.01 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 1.0 109.628 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -92.48 114.64 27.25 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.252 -0.905 . . . . 1.0 109.197 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.537 ' O ' ' ND1' ' A' ' 629' ' ' HIS . 6.2 t -142.93 145.98 33.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.345 -0.847 . . . . 1.0 109.878 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.537 ' ND1' ' O ' ' A' ' 628' ' ' THR . 0.1 OUTLIER 176.1 99.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.329 -0.857 . . . . 1.0 109.423 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 49.3 m -61.58 -34.95 76.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 1.0 109.435 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 80.6 p -59.17 -33.49 70.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.912 . . . . 1.0 109.409 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 629' ' ' HIS . 88.4 m-20 -113.22 156.59 23.01 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 1.0 109.258 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -164.49 -28.76 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.408 -0.807 . . . . 1.0 109.674 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 72.6 p -64.36 -36.51 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.161 -0.962 . . . . 1.0 109.317 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.13 -47.3 83.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 1.0 109.515 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -61.04 -44.16 97.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.044 -1.035 . . . . 1.0 108.482 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -60.19 -50.53 73.32 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -63.95 -44.9 91.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.0 109.805 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.429 HD21 HG22 ' A' ' 624' ' ' VAL . 23.3 tp -69.36 -47.33 64.65 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.267 -0.896 . . . . 1.0 109.676 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 19.4 m -60.88 -42.12 97.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 1.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 46.5 ttt-85 -60.15 -46.68 88.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.254 -0.904 . . . . 1.0 109.677 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.417 ' NE2' ' NZ ' ' A' ' 645' ' ' LYS . 22.4 tp60 -75.12 -36.82 61.6 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.156 -0.965 . . . . 1.0 109.966 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.32 -48.88 54.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.292 -0.88 . . . . 1.0 109.879 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.416 ' CG ' ' N ' ' A' ' 645' ' ' LYS . 1.4 pt20 -63.74 -35.23 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.043 . . . . 1.0 108.842 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.493 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.69 -37.11 86.13 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.713 -1.218 . . . . 1.0 107.713 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 27.0 tpp -67.96 -38.57 82.93 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.285 -1.005 . . . . 1.0 108.285 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -60.99 -51.51 68.94 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.986 -0.746 . . . . 1.0 108.986 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . 0.64 ' O ' HG23 ' A' ' 652' ' ' THR . 29.5 t0 -64.23 -40.68 96.55 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.542 -0.724 . . . . 1.0 109.431 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.4 t -70.55 -35.21 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.326 -0.859 . . . . 1.0 109.81 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.688 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 14.5 t80 -68.86 -39.73 79.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 1.0 109.909 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -70.87 -29.76 65.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.89 -1.132 . . . . 1.0 109.464 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 648' ' ' ASP . 37.0 p -66.2 -37.1 84.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.207 -0.933 . . . . 1.0 110.508 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 680' ' ' CYS . 9.4 mt -73.46 -33.79 65.05 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.77 -1.206 . . . . 1.0 109.87 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.59 -43.13 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.916 -1.115 . . . . 1.0 109.067 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -68.67 -43.86 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.046 -1.034 . . . . 1.0 108.523 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -65.43 -37.93 88.38 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.485 -1.302 . . . . 1.0 107.485 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.48 -44.12 42.51 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.255 -1.538 . . . . 1.0 109.255 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -57.0 -31.36 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.036 -1.273 . . . . 1.0 108.685 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 655' ' ' VAL . 80.0 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.35 -0.844 . . . . 1.0 108.936 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.3 OUTLIER -65.19 -28.94 69.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.291 -0.88 . . . . 1.0 109.241 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.427 ' N ' ' HG ' ' A' ' 660' ' ' LEU . 55.7 t0 -63.85 -43.0 97.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.416 -0.803 . . . . 1.0 109.556 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 76.7 p -156.87 170.17 23.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.137 -0.977 . . . . 1.0 109.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -152.31 136.8 5.58 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.417 -1.473 . . . . 1.0 109.417 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -59.43 -32.78 70.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -1.148 . . . . 1.0 109.36 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -74.99 171.73 53.71 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -54.77 -73.85 0.37 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.406 -1.478 . . . . 1.0 109.406 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.66 145.12 56.74 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 123.001 2.467 . . . . 1.0 112.413 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -87.98 -73.13 1.28 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -146.07 165.87 27.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -1.153 . . . . 1.0 109.513 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 25.7 p -104.8 167.78 9.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 1.0 108.918 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.75 -26.03 63.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 1.0 108.631 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.68 -48.52 81.34 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 1.0 109.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.51 ' OD1' ' NH2' ' A' ' 676' ' ' ARG . 75.9 m-20 -55.81 -35.42 66.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.38 -0.825 . . . . 1.0 110.069 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 6.4 tp -62.7 -34.73 77.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 1.0 109.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.08 -36.47 79.73 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.525 -1.287 . . . . 1.0 107.525 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . 0.51 ' NH2' ' OD1' ' A' ' 673' ' ' ASP . 87.7 mtm-85 -75.05 -36.69 61.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.697 -0.627 . . . . 1.0 109.497 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.9 tt -67.76 -46.75 71.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.966 -1.084 . . . . 1.0 108.705 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.528 HG12 ' HE ' ' A' ' 682' ' ' ARG . 79.3 t -58.49 -31.06 42.48 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.77 -46.88 51.03 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.54 -0.725 . . . . 1.0 109.501 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.678 ' HB3' HD21 ' A' ' 653' ' ' LEU . 59.2 m -67.35 -37.94 84.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.121 -0.987 . . . . 1.0 109.41 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.618 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -57.01 -34.73 68.46 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 1.0 110.416 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.528 ' HE ' HG12 ' A' ' 678' ' ' VAL . 0.0 OUTLIER -73.04 -25.8 61.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.87 -1.144 . . . . 1.0 110.551 178.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.69 -42.47 67.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.98 -1.075 . . . . 1.0 111.657 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.563 HG11 HG21 ' A' ' 613' ' ' VAL . 2.1 t -60.28 -51.73 78.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.026 -1.046 . . . . 1.0 112.192 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.618 ' CD ' ' O ' ' A' ' 681' ' ' SER . 36.7 Cg_endo -65.82 -37.43 27.55 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.011 1.807 . . . . 1.0 112.955 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.36 -38.19 79.79 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.882 -1.136 . . . . 1.0 108.01 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -72.14 -30.05 64.64 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.673 ' HB1' ' CD1' ' A' ' 616' ' ' LEU . . . -59.68 -43.4 94.04 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.21 -0.932 . . . . 1.0 108.693 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.19 -43.34 87.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.444 -0.785 . . . . 1.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.23 -42.0 89.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.943 -1.098 . . . . 1.0 110.0 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mt -60.39 -35.16 75.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.966 -1.084 . . . . 1.0 108.673 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.5 -36.14 75.47 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.5 m -65.92 -41.5 91.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -0.893 . . . . 1.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.484 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.2 m-85 -64.94 -36.24 83.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 1.0 108.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 699' ' ' ALA . 95.0 mt -61.5 -37.66 84.46 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.248 -1.019 . . . . 1.0 108.248 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 40.8 m80 -66.79 -47.56 71.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.461 -0.775 . . . . 1.0 110.128 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -55.44 -27.2 47.09 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.843 -1.303 . . . . 1.0 109.843 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.0 OUTLIER -120.63 4.79 10.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -1.21 . . . . 1.0 109.689 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.61 -40.03 59.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 1.0 109.661 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 78.8 p -52.16 -35.63 49.22 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.224 -0.922 . . . . 1.0 109.605 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.489 HD22 ' CG ' ' A' ' 629' ' ' HIS . 72.6 mt -87.68 -37.92 16.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 1.0 110.342 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 33.1 mt -56.45 -33.97 66.4 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.614 -1.304 . . . . 1.0 107.993 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -121.07 -80.66 0.63 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.411 -0.806 . . . . 1.0 109.638 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -173.11 -81.78 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.971 -1.081 . . . . 1.0 109.667 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 57.47 104.32 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.137 -0.977 . . . . 1.0 109.508 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 27.4 p -94.47 160.17 14.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.273 -0.892 . . . . 1.0 109.415 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -88.39 133.63 34.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 1.0 109.42 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.991 -1.004 . . . . 1.0 109.455 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.938 0 N-CA-C 119.482 2.553 . . . . 1.0 119.482 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 21.8 m -58.24 -34.62 70.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -1.121 . . . . 1.0 109.513 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 96.37 -0.78 61.91 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.58 -1.408 . . . . 1.0 109.58 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -59.13 -33.15 70.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.323 -1.104 . . . . 1.0 109.547 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.35 155.55 35.71 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.328 -0.857 . . . . 1.0 109.41 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.14 169.58 13.41 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.066 2.51 . . . . 1.0 112.384 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 552' ' ' LEU . 8.1 mp -76.44 170.1 17.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.173 -0.954 . . . . 1.0 109.494 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -109.2 165.38 11.66 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.796 0.807 . . . . 1.0 109.106 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.33 -41.24 75.71 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.0 tt0 -57.81 -44.66 86.52 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.502 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.2 -45.29 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.1 -39.14 81.31 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.165 -0.68 . . . . 1.0 109.165 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -44.23 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.053 -1.029 . . . . 1.0 109.151 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 65.2 mm-40 -71.61 -48.79 45.78 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.167 -0.958 . . . . 1.0 109.277 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.6 m -59.69 -45.58 91.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.776 -1.202 . . . . 1.0 109.822 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.38 -46.71 89.0 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.159 -0.963 . . . . 1.0 109.747 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.16 85.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.396 -0.815 . . . . 1.0 109.939 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.627 ' NH2' ' NE2' ' A' ' 566' ' ' GLN . 0.0 OUTLIER -61.08 -38.0 84.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.017 -1.052 . . . . 1.0 109.345 -179.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.852 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -75.31 -41.06 57.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.862 . . . . 1.0 109.395 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -63.27 -30.0 71.22 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.392 -0.817 . . . . 1.0 110.393 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . 0.627 ' NE2' ' NH2' ' A' ' 563' ' ' ARG . 96.2 mt-30 -77.42 -45.32 26.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.014 -1.054 . . . . 1.0 108.795 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.785 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -32.13 82.73 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.332 -1.507 . . . . 1.0 109.332 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 564' ' ' LEU . 58.3 t -69.24 -49.91 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.109 -1.23 . . . . 1.0 109.013 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 87.0 p -66.99 -37.78 84.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.226 -0.921 . . . . 1.0 108.85 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 48.9 m -62.91 -42.88 99.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.486 -0.759 . . . . 1.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 567' ' ' GLY . 66.9 p -67.86 -33.47 74.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.167 -0.958 . . . . 1.0 109.404 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 568' ' ' VAL . 71.6 t -61.51 -40.27 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.163 -0.961 . . . . 1.0 108.926 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.75 80.29 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.362 -0.977 . . . . 1.0 108.362 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -55.58 -51.62 66.49 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.333 -0.854 . . . . 1.0 109.053 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 579' ' ' VAL . 0.9 OUTLIER -57.88 -47.72 81.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 1.0 109.467 179.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.496 HD13 HG12 ' A' ' 572' ' ' VAL . 5.4 mp -65.39 -31.45 72.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.253 -0.904 . . . . 1.0 108.991 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.95 -40.73 65.12 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.448 -0.782 . . . . 1.0 109.134 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 578' ' ' LEU . 38.9 tp -66.18 -44.45 83.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.352 -0.843 . . . . 1.0 109.551 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 581' ' ' SER . 19.0 m -80.38 -26.99 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 1.0 109.531 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 48.56 -91.6 0.01 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.594 -1.403 . . . . 1.0 109.594 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 579' ' ' VAL . 0.8 OUTLIER -124.27 33.31 5.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -1.196 . . . . 1.0 109.521 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -58.74 148.52 29.22 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 1.0 109.544 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 2.3 t 60.57 17.62 7.58 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.115 -0.991 . . . . 1.0 109.416 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -58.34 168.1 5.81 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.54 -1.424 . . . . 1.0 109.54 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -62.64 151.54 82.93 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.919 2.412 . . . . 1.0 112.223 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 96.73 125.12 4.87 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.631 -1.388 . . . . 1.0 109.631 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 75.49 33.69 51.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.511 -1.436 . . . . 1.0 109.511 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -55.83 -40.57 73.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -1.119 . . . . 1.0 109.633 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -93.79 78.93 4.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 1.0 109.569 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 592' ' ' SER . 84.2 p -64.72 -28.98 69.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.321 -0.862 . . . . 1.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 61.22 -2.62 0.21 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.228 -0.92 . . . . 1.0 109.472 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 590' ' ' SER . 61.8 m -146.43 165.03 30.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 1.0 109.378 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -102.72 109.21 60.53 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 1.0 109.646 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -80.34 -77.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.885 2.39 . . . . 1.0 112.121 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 50.69 48.18 23.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.884 . . . . 1.0 109.42 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.3 OUTLIER -57.37 -43.97 99.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.342 -0.849 . . . . 1.0 109.722 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 3.9 Cg_exo -68.79 159.56 53.28 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.163 1.908 . . . . 1.0 113.305 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -70.17 127.93 14.96 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 121.81 1.674 . . . . 1.0 111.989 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 90.5 t -70.7 -33.93 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.913 . . . . 1.0 109.815 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -57.08 -41.28 78.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 1.0 109.282 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -61.64 -33.6 74.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.297 -0.877 . . . . 1.0 109.364 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.8 tt -62.02 -42.85 99.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 1.0 109.005 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -60.13 -35.48 75.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.864 . . . . 1.0 109.64 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.5 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 110.103 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.62 -47.24 55.93 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.206 -0.933 . . . . 1.0 110.421 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 1.5 m -71.32 -36.25 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 120.905 -1.122 . . . . 1.0 109.423 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -61.8 -36.21 80.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.254 -0.904 . . . . 1.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.92 42.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 1.0 110.193 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -62.73 -42.79 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.971 -1.08 . . . . 1.0 109.479 -178.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.499 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 1.4 m-70 -67.05 -38.87 86.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 1.0 109.549 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.91 95.37 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.077 -1.609 . . . . 1.0 109.077 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.54 79.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -1.105 . . . . 1.0 109.321 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 609' ' ' VAL . 90.8 t -66.92 -44.2 88.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.234 -0.916 . . . . 1.0 108.867 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.404 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 18.6 t-80 -54.48 -34.1 60.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.32 -0.862 . . . . 1.0 108.904 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.16 -33.45 75.49 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.182 -0.949 . . . . 1.0 108.677 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.0 tp -66.43 -37.69 85.75 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.855 -0.795 . . . . 1.0 108.855 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.897 HD22 ' CD2' ' A' ' 650' ' ' TYR . 1.4 mp -75.13 -39.44 60.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.748 -0.595 . . . . 1.0 111.135 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.404 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 42.1 mt-10 -73.17 -45.99 53.35 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.683 -1.261 . . . . 1.0 111.481 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.722 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.2 OUTLIER -71.26 -40.56 70.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.689 -1.257 . . . . 1.0 109.054 -179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.722 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.78 -40.29 91.82 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.423 ' CD ' ' C ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -60.48 -37.3 80.59 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.794 -0.817 . . . . 1.0 108.794 178.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 22.1 t -59.48 -36.25 75.66 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.797 -0.816 . . . . 1.0 108.797 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -69.9 -43.01 72.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.436 -0.79 . . . . 1.0 109.989 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 702' ' ' LEU . 73.3 t -64.39 -40.81 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.0 109.797 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 50.0 m -57.13 -33.02 66.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.1 -1.0 . . . . 1.0 108.783 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 75.3 m -83.58 4.1 29.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.414 -0.804 . . . . 1.0 109.264 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 628' ' ' THR . . . -63.59 -34.31 77.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.305 -0.872 . . . . 1.0 109.445 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 627' ' ' ALA . 0.1 OUTLIER 50.98 178.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.319 -0.863 . . . . 1.0 109.356 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.771 ' H ' ' CD2' ' A' ' 629' ' ' HIS . 0.2 OUTLIER -96.23 93.13 6.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 1.0 109.615 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.529 ' OG1' ' NH2' ' A' ' 705' ' ' ARG . 38.0 m -132.59 143.15 49.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.294 -0.878 . . . . 1.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 6.6 m 53.46 -163.11 0.1 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.178 -0.952 . . . . 1.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -59.24 149.71 27.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 1.0 109.214 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -98.84 5.67 47.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.258 -0.901 . . . . 1.0 109.781 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.0 p -61.51 -38.88 88.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 1.0 109.471 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.799 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.42 -46.85 85.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.0 109.378 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . 0.533 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 44.2 t-80 -62.62 -41.32 98.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 1.0 108.187 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.0 75.42 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.598 -0.89 . . . . 1.0 108.598 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.22 -47.05 81.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 1.0 109.682 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.541 ' CD1' HD22 ' A' ' 698' ' ' ASN . 8.8 mp -65.96 -47.34 74.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.82 . . . . 1.0 109.43 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . 0.533 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 40.8 m -61.87 -39.42 91.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.313 -0.867 . . . . 1.0 110.22 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -60.74 -46.2 91.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.365 -0.835 . . . . 1.0 110.177 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -73.23 -47.52 42.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 643' ' ' LEU . 28.5 tp -55.9 -46.5 78.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 1.0 109.971 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.0 -32.14 73.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 1.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 649' ' ' VAL . 2.4 tmtt? -67.27 -41.8 84.92 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.859 -1.163 . . . . 1.0 107.859 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.513 ' SD ' HD22 ' A' ' 691' ' ' LEU . 10.7 mtp -64.87 -37.64 88.31 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.216 -1.031 . . . . 1.0 108.216 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.85 -51.16 70.48 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.609 0.719 . . . . 1.0 109.214 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -61.21 -40.34 93.62 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.613 -0.679 . . . . 1.0 109.428 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 645' ' ' LYS . 58.1 t -72.09 -37.16 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.24 -0.913 . . . . 1.0 109.637 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.897 ' CD2' HD22 ' A' ' 617' ' ' LEU . 3.6 m-30 -57.73 -41.17 81.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.062 -1.023 . . . . 1.0 109.375 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -73.87 -36.82 64.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.174 -0.954 . . . . 1.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 45.8 m -59.77 -46.43 89.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 1.0 109.289 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.872 HD13 ' SG ' ' A' ' 680' ' ' CYS . 86.5 mt -69.38 -35.83 76.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.42 -0.8 . . . . 1.0 109.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 650' ' ' TYR . 70.2 t -65.16 -44.11 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.931 . . . . 1.0 109.477 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 659' ' ' VAL . 84.1 t -67.13 -43.16 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.087 -1.008 . . . . 1.0 108.492 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 656' ' ' HIS . 0.0 OUTLIER -65.12 -41.22 95.07 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.57 66.14 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 109.248 -1.541 . . . . 1.0 109.248 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -60.77 -28.56 68.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.122 -1.222 . . . . 1.0 109.506 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -63.5 -40.27 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.265 -0.897 . . . . 1.0 109.878 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 660' ' ' LEU . 0.9 OUTLIER -57.26 -23.02 45.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.166 -0.958 . . . . 1.0 109.362 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 663' ' ' GLY . 67.1 t0 -71.68 117.8 13.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 1.0 109.572 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.78 21.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 1.0 109.518 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . 0.481 ' O ' ' O ' ' A' ' 664' ' ' ARG . . . 60.1 -108.4 1.74 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.524 -1.43 . . . . 1.0 109.524 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.481 ' O ' ' O ' ' A' ' 663' ' ' GLY . 59.4 ttt180 60.65 138.36 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 1.0 109.364 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.62 4.05 66.04 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 146.3 -173.02 26.73 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -50.48 150.58 11.37 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.964 2.442 . . . . 1.0 112.434 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -58.84 -163.2 0.07 OUTLIER Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.576 -1.41 . . . . 1.0 109.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 31.1 p90 -131.79 164.98 24.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.314 -1.109 . . . . 1.0 109.543 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.7 p -131.87 -179.37 5.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.148 -0.97 . . . . 1.0 109.47 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.7 mt -53.78 -23.71 12.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.0 109.216 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -64.99 -47.22 78.32 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.292 -0.88 . . . . 1.0 109.239 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.63 -36.84 67.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.279 -0.888 . . . . 1.0 109.55 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 674' ' ' LEU . 11.0 mp -62.37 -36.89 83.68 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.36 -0.837 . . . . 1.0 109.433 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.07 -37.0 78.6 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.364 -1.347 . . . . 1.0 107.364 178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 80.4 mtp180 -74.34 -37.81 63.44 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 109.198 -0.667 . . . . 1.0 109.198 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.46 -48.51 67.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.149 -0.97 . . . . 1.0 108.472 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.42 HG22 HD21 ' A' ' 575' ' ' LEU . 75.7 t -57.93 -29.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 N-CA-C 108.004 -1.109 . . . . 1.0 108.004 178.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -64.8 -41.71 95.6 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.927 -0.768 . . . . 1.0 108.927 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.872 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -67.6 -38.43 83.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 1.0 109.628 179.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.638 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 25.3 t -58.59 -34.81 71.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.255 -0.903 . . . . 1.0 111.401 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -77.61 -32.78 53.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.568 -1.333 . . . . 1.0 110.051 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.6 65.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.132 -0.98 . . . . 1.0 111.482 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -56.5 -52.99 69.03 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.93 -1.106 . . . . 1.0 112.368 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.638 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.5 Cg_endo -63.19 -41.17 28.97 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 121.986 1.791 . . . . 1.0 113.153 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.51 -41.53 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.816 -1.178 . . . . 1.0 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.43 -29.8 62.81 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.532 -0.73 . . . . 1.0 109.312 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.428 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.37 -42.03 94.94 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.12 -0.988 . . . . 1.0 108.721 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -66.38 -41.18 89.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.534 -0.729 . . . . 1.0 109.478 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -68.26 -43.31 78.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.305 -0.872 . . . . 1.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.513 HD22 ' SD ' ' A' ' 646' ' ' MET . 6.1 tp -60.19 -36.94 78.76 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -58.8 -32.74 69.63 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.743 -0.836 . . . . 1.0 108.743 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.6 m -68.59 -38.54 80.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 1.0 109.387 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -64.38 -41.73 96.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -0.949 . . . . 1.0 108.86 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 699' ' ' ALA . 4.0 mm? -64.84 -36.98 86.1 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.081 -1.081 . . . . 1.0 108.081 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 10.6 t60 -70.83 -43.88 67.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.592 -0.693 . . . . 1.0 109.895 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.53 -29.34 47.6 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.809 -1.316 . . . . 1.0 109.809 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.541 HD22 ' CD1' ' A' ' 639' ' ' LEU . 78.8 m-20 -122.73 9.03 9.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.165 -1.197 . . . . 1.0 109.629 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.57 -31.32 62.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.185 -0.947 . . . . 1.0 109.434 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 704' ' ' ARG . 20.0 m -53.61 -38.03 63.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.152 -0.968 . . . . 1.0 109.909 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 11.0 mt -87.58 -33.96 18.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.984 . . . . 1.0 110.369 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 624' ' ' VAL . 71.0 mt -59.27 -35.61 74.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.924 -1.11 . . . . 1.0 108.107 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.573 ' O ' ' N ' ' A' ' 705' ' ' ARG . 9.8 m-85 -118.56 -74.57 0.6 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.403 -0.811 . . . . 1.0 109.167 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 700' ' ' SER . 53.1 ttt85 -63.43 66.69 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.283 -0.885 . . . . 1.0 109.875 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . 0.573 ' N ' ' O ' ' A' ' 703' ' ' PHE . 58.7 ttt85 -55.65 142.13 35.11 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.123 -0.985 . . . . 1.0 109.738 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 43.6 p -83.8 159.61 21.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 1.0 109.374 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -96.99 147.11 24.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 1.0 109.489 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.003 -0.999 . . . . 1.0 109.499 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.905 0 N-CA-C 119.404 2.522 . . . . 1.0 119.404 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 32.3 m -59.66 -32.67 70.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.199 -1.177 . . . . 1.0 109.43 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 93.92 7.46 61.22 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.556 -1.418 . . . . 1.0 109.556 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -90.73 141.2 29.05 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.13 . . . . 1.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -87.34 155.58 54.33 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 1.0 109.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.72 156.21 66.9 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.837 2.358 . . . . 1.0 112.5 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.475 HD11 ' OG ' ' A' ' 622' ' ' SER . 59.4 mt -88.77 158.13 18.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.386 -0.821 . . . . 1.0 109.369 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.4 150.3 26.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.347 -0.845 . . . . 1.0 109.157 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.428 HD13 ' HB1' ' A' ' 699' ' ' ALA . 28.6 tp -57.81 -36.75 72.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.1 -1.0 . . . . 1.0 110.47 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.88 -40.27 94.86 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.936 -1.103 . . . . 1.0 109.719 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 84.3 t -72.2 -41.07 66.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 N-CA-C 107.945 -1.132 . . . . 1.0 107.945 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.63 98.52 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.904 -0.776 . . . . 1.0 108.904 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -34.46 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.037 -1.039 . . . . 1.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.11 -50.54 19.05 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.265 -0.897 . . . . 1.0 109.531 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 87.9 m -60.18 -40.63 90.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.807 -1.183 . . . . 1.0 110.021 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.54 ' O ' ' NE2' ' A' ' 565' ' ' GLN . 6.5 tt -58.89 -46.85 86.85 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.22 -0.925 . . . . 1.0 110.275 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.34 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 1.0 110.413 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -64.24 -38.97 92.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.918 -1.114 . . . . 1.0 108.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.0 mp -73.99 -36.54 64.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.323 -0.861 . . . . 1.0 109.735 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.731 HE21 ' N ' ' A' ' 565' ' ' GLN . 0.0 OUTLIER -62.94 -34.57 77.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.203 -0.936 . . . . 1.0 110.644 -179.15 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -78.77 -41.4 30.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.828 -1.17 . . . . 1.0 108.793 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.31 -33.35 84.15 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 108.425 -1.87 . . . . 1.0 108.425 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 564' ' ' LEU . 70.2 t -71.59 -49.42 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.41 -1.053 . . . . 1.0 108.784 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 m -68.59 -37.02 79.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -0.886 . . . . 1.0 108.792 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.1 m -62.26 -42.72 99.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 1.0 109.824 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.823 ' OG1' HG23 ' A' ' 609' ' ' VAL . 66.8 p -67.87 -33.66 75.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.236 -0.915 . . . . 1.0 110.055 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 32.0 t -66.39 -39.41 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.12 -0.988 . . . . 1.0 109.158 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.61 82.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.372 -0.83 . . . . 1.0 109.395 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -62.28 -47.78 82.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 1.0 109.521 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.35 -45.36 76.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.255 -0.903 . . . . 1.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.47 -41.5 69.29 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.182 -0.949 . . . . 1.0 108.59 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.54 -41.04 96.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.5 -0.75 . . . . 1.0 109.404 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.5 tt -71.99 -43.71 64.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.0 109.468 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.72 -39.52 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 1.0 109.557 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -56.85 -33.3 63.24 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 91.3 p -58.69 -32.31 69.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -1.147 . . . . 1.0 109.487 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -93.04 -57.75 2.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0 109.48 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 584' ' ' GLY . 22.9 t -59.2 -27.81 66.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.0 109.528 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -55.36 -170.13 0.07 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.06 142.85 26.39 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.841 2.361 . . . . 1.0 112.156 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -165.36 -110.22 0.23 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -84.13 176.82 51.86 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -145.75 -171.12 3.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -1.152 . . . . 1.0 109.588 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 60.27 35.17 20.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 1.0 109.279 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 10.6 p 45.84 46.81 12.14 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 1.0 109.467 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 62.4 m -81.07 131.58 35.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 1.0 109.425 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.3 m -73.05 143.32 47.52 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.273 -0.892 . . . . 1.0 109.435 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -171.21 69.96 0.5 Allowed Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.949 . . . . 1.0 109.554 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.99 137.69 36.02 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.807 2.338 . . . . 1.0 112.167 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -105.35 133.57 49.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 1.0 109.586 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -141.24 63.07 17.18 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.0 109.572 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -72.8 162.77 40.27 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.777 2.318 . . . . 1.0 111.913 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -44.72 121.95 3.74 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.563 2.176 . . . . 1.0 111.975 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.8 t -67.37 -35.77 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 1.0 109.895 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -57.98 -40.36 80.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 1.0 109.116 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.28 -43.67 97.23 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 121.359 -0.838 . . . . 1.0 108.949 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.0 OUTLIER -69.94 -42.95 72.57 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.432 -0.793 . . . . 1.0 109.137 179.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -59.78 -33.88 72.28 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.438 -0.789 . . . . 1.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 1.0 110.15 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.35 65.15 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.179 -0.951 . . . . 1.0 110.254 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.443 ' H ' HG13 ' A' ' 606' ' ' VAL . 1.3 m -69.53 -34.02 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.007 -1.058 . . . . 1.0 109.661 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -64.21 -31.6 72.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -0.932 . . . . 1.0 109.56 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.62 -53.86 16.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 1.0 110.366 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.823 HG23 ' OG1' ' A' ' 571' ' ' THR . 3.9 p -62.24 -42.06 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.974 -1.079 . . . . 1.0 109.658 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.63 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 0.2 OUTLIER -63.73 -41.83 97.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.111 -0.993 . . . . 1.0 109.267 179.046 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -58.59 -41.07 95.4 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.699 -1.76 . . . . 1.0 108.699 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.19 73.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.348 -1.09 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 650' ' ' TYR . 25.6 t -68.05 -44.51 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.581 -1.325 . . . . 1.0 108.476 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.42 -38.33 71.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -0.826 . . . . 1.0 109.529 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.445 ' OE1' ' OE2' ' A' ' 618' ' ' GLU . 77.6 mm-40 -59.22 -36.72 75.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.899 -1.126 . . . . 1.0 107.965 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.615 ' CD1' HE22 ' A' ' 565' ' ' GLN . 5.7 tp -68.06 -37.27 81.1 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.791 -0.568 . . . . 1.0 109.669 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.566 HD23 ' OE2' ' A' ' 647' ' ' GLU . 5.1 mp -76.1 -41.08 51.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.215 -0.928 . . . . 1.0 111.352 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 619' ' ' PHE . 16.2 pt-20 -72.77 -44.89 61.02 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.779 -1.2 . . . . 1.0 111.195 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.76 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.1 OUTLIER -71.32 -42.06 69.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.697 -1.252 . . . . 1.0 108.91 -179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.76 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -62.48 -38.98 91.97 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.518 -1.29 . . . . 1.0 107.518 178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -36.15 75.85 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.634 -0.876 . . . . 1.0 108.634 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . 0.475 ' OG ' HD11 ' A' ' 552' ' ' LEU . 13.0 t -58.88 -37.58 76.89 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.889 -0.782 . . . . 1.0 108.889 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.83 82.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.332 -0.855 . . . . 1.0 109.607 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.474 HG22 HD21 ' A' ' 639' ' ' LEU . 93.9 t -63.96 -41.74 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -0.832 . . . . 1.0 109.922 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.9 p -66.74 -25.24 66.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.098 -1.001 . . . . 1.0 109.005 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 79.6 p -82.84 -9.11 59.48 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.285 -0.884 . . . . 1.0 108.892 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.726 ' HB2' HD12 ' A' ' 702' ' ' LEU . . . -74.23 124.58 26.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 1.0 109.384 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.53 ' O ' ' CG ' ' A' ' 629' ' ' HIS . 36.3 m -155.61 116.88 3.93 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.0 109.921 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 628' ' ' THR . 1.5 m-70 170.74 -12.8 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.34 -0.85 . . . . 1.0 109.512 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 631' ' ' SER . 81.5 p 46.88 -92.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 1.0 109.41 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 629' ' ' HIS . 9.4 m 47.13 -125.73 1.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.0 109.389 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 634' ' ' THR . 89.6 m-20 -55.48 -36.94 67.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 1.0 109.416 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 65.77 -7.71 0.34 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.335 -0.853 . . . . 1.0 109.368 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 632' ' ' ASP . 82.1 p -64.42 -39.22 93.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 1.0 109.538 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -58.59 -47.23 84.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 1.0 109.217 179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -59.63 -47.58 85.04 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.713 ' HB1' ' HE ' ' A' ' 641' ' ' ARG . . . -62.65 -51.8 65.81 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.435 -0.95 . . . . 1.0 108.435 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -60.66 -38.66 85.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.41 -0.806 . . . . 1.0 109.681 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 624' ' ' VAL . 53.8 tp -73.94 -45.93 47.29 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.23 -0.919 . . . . 1.0 109.201 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 21.6 m -61.53 -45.73 92.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.272 -0.892 . . . . 1.0 110.468 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . 0.713 ' HE ' ' HB1' ' A' ' 637' ' ' ALA . 46.6 mtt-85 -60.83 -45.72 93.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.881 -1.137 . . . . 1.0 110.17 -179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -71.68 -44.16 64.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.927 -1.108 . . . . 1.0 109.813 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -70.14 -41.71 73.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.16 -0.962 . . . . 1.0 110.025 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -64.8 -37.0 86.14 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.06 -1.025 . . . . 1.0 108.572 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -63.44 -37.91 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 617' ' ' LEU . 13.4 tpp -67.24 -37.54 83.7 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.941 0.877 . . . . 1.0 108.723 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.566 ' OE2' HD23 ' A' ' 617' ' ' LEU . 54.5 mm-40 -63.64 -51.27 65.92 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 121.62 0.724 . . . . 1.0 109.637 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.29 -42.84 74.94 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.482 -0.761 . . . . 1.0 109.779 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.69 -44.73 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.0 109.307 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.709 ' CD1' HG11 ' A' ' 613' ' ' VAL . 22.5 t80 -62.88 -33.59 75.62 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.391 -0.818 . . . . 1.0 109.864 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.45 -32.25 72.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 1.0 109.812 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 62.4 m -65.89 -35.4 80.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 1.0 109.204 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.99 -36.21 82.68 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 1.0 109.138 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.78 -44.58 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.36 -0.838 . . . . 1.0 109.655 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.58 -46.28 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.901 -1.125 . . . . 1.0 108.283 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -60.94 -37.46 82.41 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.04 -1.096 . . . . 1.0 108.04 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.35 -41.6 37.14 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 1.0 109.302 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.25 -29.0 57.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.101 -1.235 . . . . 1.0 109.343 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -39.81 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 1.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.454 HD11 HD13 ' A' ' 602' ' ' LEU . 1.2 tt -81.3 89.36 6.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.024 -1.048 . . . . 1.0 109.394 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 662' ' ' SER . 45.2 t0 -169.56 -104.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 1.0 109.552 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.403 ' N ' ' CG ' ' A' ' 661' ' ' ASP . 47.8 m -59.85 155.51 16.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 1.0 109.45 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -146.09 112.39 0.62 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.705 -1.358 . . . . 1.0 109.705 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -61.21 -36.28 79.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.18 -1.188 . . . . 1.0 109.588 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 666' ' ' GLY . . . 153.5 -178.78 30.3 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.587 -1.405 . . . . 1.0 109.587 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 665' ' ' GLY . . . 47.76 -173.49 0.03 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.5 -1.44 . . . . 1.0 109.5 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.24 150.32 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.968 2.445 . . . . 1.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -139.03 -120.52 1.81 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.741 -1.343 . . . . 1.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -55.19 -35.22 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.248 -1.148 . . . . 1.0 109.178 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.7 149.3 0.05 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.987 -1.071 . . . . 1.0 109.747 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 53.1 mt -56.9 -24.41 51.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 1.0 109.4 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -60.0 -48.24 82.51 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.37 -0.831 . . . . 1.0 109.557 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.03 -33.73 67.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 1.0 109.747 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.75 -37.98 83.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 1.0 109.475 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -61.54 -36.23 79.99 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.316 -1.364 . . . . 1.0 107.316 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -73.7 -38.59 64.8 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.122 -0.696 . . . . 1.0 109.122 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.0 tt -69.8 -48.05 60.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 1.0 108.873 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.05 -31.01 40.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.068 -1.086 . . . . 1.0 108.068 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.44 -47.19 57.38 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.594 -0.691 . . . . 1.0 109.199 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 15.5 m -63.5 -36.19 82.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 1.0 109.206 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.581 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.8 t -58.67 -33.89 70.63 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.268 -0.895 . . . . 1.0 110.246 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -71.68 -25.95 62.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.731 -1.23 . . . . 1.0 109.537 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.42 -43.08 70.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.284 -0.885 . . . . 1.0 111.171 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 684' ' ' VAL . 0.0 OUTLIER -57.95 -51.74 79.53 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.864 -1.147 . . . . 1.0 112.012 -177.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.581 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.6 Cg_exo -61.02 -43.8 28.06 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.901 1.734 . . . . 1.0 112.949 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.68 -40.62 88.46 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.733 -1.229 . . . . 1.0 108.073 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.42 -36.07 78.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.719 . . . . 1.0 109.455 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.08 98.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.008 . . . . 1.0 108.771 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 29.6 ttmt -66.53 -48.91 68.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.389 -0.82 . . . . 1.0 108.931 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.78 -43.42 98.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.435 -0.791 . . . . 1.0 109.171 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.14 -34.74 70.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.048 -1.093 . . . . 1.0 108.048 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 689' ' ' LYS . . . -59.17 -35.56 73.76 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.388 -0.82 . . . . 1.0 108.934 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.9 t -63.91 -41.51 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 1.0 109.945 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -61.2 -39.97 92.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.106 -0.996 . . . . 1.0 108.523 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.1 mp -62.52 -40.32 96.39 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.75 -51.41 68.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.62 -0.675 . . . . 1.0 110.419 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . 0.568 ' C ' HD22 ' A' ' 698' ' ' ASN . . . -60.73 -23.86 61.52 Favored Glycine 0 N--CA 1.496 2.638 0 C-N-CA 119.76 -1.209 . . . . 1.0 110.12 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.568 HD22 ' C ' ' A' ' 697' ' ' GLY . 1.7 m120 -114.67 9.29 16.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.328 . . . . 1.0 109.73 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -59.5 -28.11 66.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 1.0 109.56 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 29.7 m -66.9 -45.41 78.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 1.0 109.723 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.2 -20.68 15.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 1.0 110.26 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 627' ' ' ALA . 55.0 tp -63.2 -28.63 70.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.8 -1.187 . . . . 1.0 108.403 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -122.11 -99.07 0.43 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.465 -0.772 . . . . 1.0 109.198 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -171.87 62.48 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.389 -0.819 . . . . 1.0 109.088 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -139.09 146.33 40.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 1.0 109.471 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 30.2 p -87.23 158.59 19.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.255 -0.903 . . . . 1.0 109.526 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -60.54 -35.62 76.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.94 . . . . 1.0 109.451 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.029 -0.986 . . . . 1.0 109.441 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.838 0 N-CA-C 119.457 2.543 . . . . 1.0 119.457 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 87.0 p -60.21 -29.75 68.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.284 -1.127 . . . . 1.0 109.457 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 93.47 2.89 65.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.606 -1.398 . . . . 1.0 109.606 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -57.1 -36.75 71.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.218 -1.166 . . . . 1.0 109.37 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -145.47 157.91 51.56 Favored Pre-proline 0 N--CA 1.494 1.736 0 O-C-N 121.231 -0.918 . . . . 1.0 109.153 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -40.31 165.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.629 2.22 . . . . 1.0 112.564 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 58.4 mt -97.33 158.37 15.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.451 -0.781 . . . . 1.0 109.258 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 555' ' ' GLU . 84.7 tt0 -95.73 151.08 19.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.271 -0.893 . . . . 1.0 109.479 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 555' ' ' GLU . 2.0 pp -58.21 -34.26 70.19 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.375 -0.828 . . . . 1.0 108.998 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 554' ' ' LEU . 79.0 mm-40 -66.81 -37.66 84.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.226 -0.921 . . . . 1.0 110.051 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.638 ' O ' ' OG1' ' A' ' 560' ' ' THR . 74.3 t -72.17 -47.88 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.771 -1.206 . . . . 1.0 107.901 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -57.31 -39.9 76.78 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.629 -0.67 . . . . 1.0 109.225 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.5 -35.74 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 1.0 109.723 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.1 -46.4 43.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.038 . . . . 1.0 109.808 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -62.3 -48.14 81.2 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.63 -0.669 . . . . 1.0 109.784 -179.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 561' ' ' LEU . 2.6 tt -68.16 -39.66 82.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.202 -0.936 . . . . 1.0 109.614 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.4 98.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.399 -0.813 . . . . 1.0 110.087 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -62.73 -33.38 75.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.088 -1.008 . . . . 1.0 108.641 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 619' ' ' PHE . 4.8 mp -67.2 -38.13 84.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.51 -0.743 . . . . 1.0 109.684 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.525 HE21 HD11 ' A' ' 616' ' ' LEU . 45.8 mm-40 -60.55 -31.85 70.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 1.0 109.207 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.56 -45.72 43.58 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.656 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.83 -33.61 87.45 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 572' ' ' VAL . 42.7 t -72.6 -49.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.071 -1.252 . . . . 1.0 108.895 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.0 m -65.9 -41.01 92.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.205 -0.934 . . . . 1.0 109.3 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.2 m -62.35 -40.08 95.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.526 -0.734 . . . . 1.0 110.487 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 567' ' ' GLY . 27.2 p -67.74 -32.91 73.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.002 -1.061 . . . . 1.0 109.77 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.47 HG21 ' HG3' ' A' ' 685' ' ' PRO . 77.3 t -71.66 -35.09 54.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 1.0 109.55 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.31 99.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.997 . . . . 1.0 108.656 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . 0.652 ' ND1' ' O ' ' A' ' 571' ' ' THR . 1.0 OUTLIER -67.66 -42.0 82.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.704 -0.623 . . . . 1.0 109.582 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.65 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 6.0 tp -58.29 -45.07 88.63 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.383 -0.823 . . . . 1.0 109.644 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -33.44 70.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 1.0 109.322 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -72.18 -43.07 65.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.323 -0.861 . . . . 1.0 109.491 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 578' ' ' LEU . 37.7 tp -66.93 -43.38 83.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 1.0 109.607 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.58 -25.16 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.183 -0.948 . . . . 1.0 109.533 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 582' ' ' ALA . . . -46.21 105.9 0.11 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.409 . . . . 1.0 109.579 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 582' ' ' ALA . 16.3 m 45.55 17.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.252 -1.146 . . . . 1.0 109.584 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 580' ' ' GLY . . . 54.37 102.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 1.0 109.482 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.4 m -58.26 -32.39 68.32 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.266 -0.896 . . . . 1.0 109.496 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -49.88 166.19 0.43 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.39 154.16 70.02 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.843 2.362 . . . . 1.0 112.18 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -51.5 153.54 4.95 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.581 -1.408 . . . . 1.0 109.581 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -73.73 149.57 41.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.527 -1.429 . . . . 1.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.54 155.39 18.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -1.154 . . . . 1.0 109.418 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -50.74 140.4 14.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -0.96 . . . . 1.0 109.444 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 5.6 m -147.97 163.1 37.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -0.915 . . . . 1.0 109.403 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 44.4 p -64.17 -38.88 92.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 1.0 109.418 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 31.2 t -165.34 150.23 9.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.279 -0.888 . . . . 1.0 109.504 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 52.14 71.15 1.56 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 1.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.0 -28.17 82.12 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.795 2.33 . . . . 1.0 112.181 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -99.82 131.52 45.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 1.0 109.406 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.494 ' H ' ' HD2' ' A' ' 597' ' ' PRO . 3.6 mt-10 -159.08 -60.58 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.312 -0.867 . . . . 1.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.494 ' HD2' ' H ' ' A' ' 596' ' ' GLU . 10.9 Cg_exo -43.92 -42.66 12.31 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.119 1.88 . . . . 1.0 112.889 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 11.9 Cg_exo -72.29 -16.82 27.9 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.01 1.807 . . . . 1.0 112.07 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.82 -43.41 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.352 -0.843 . . . . 1.0 109.574 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.03 -46.11 90.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.181 -0.949 . . . . 1.0 109.347 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.09 -32.76 73.34 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.294 -0.879 . . . . 1.0 109.335 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.551 HD23 HD11 ' A' ' 660' ' ' LEU . 1.2 mp -63.62 -40.6 97.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 1.0 109.021 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -59.41 -39.25 82.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.338 -0.851 . . . . 1.0 109.579 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.04 71.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 1.0 109.594 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . 0.613 ' HB1' HD12 ' A' ' 575' ' ' LEU . . . -67.39 -46.96 71.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.412 -0.805 . . . . 1.0 110.293 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -69.41 -37.11 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.909 -1.119 . . . . 1.0 109.532 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -62.88 -32.34 73.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.131 -0.98 . . . . 1.0 109.328 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.83 40.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.0 109.563 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.518 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -63.07 -42.55 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 1.0 109.116 -179.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.527 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 57.7 t60 -63.42 -38.36 90.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.028 -1.045 . . . . 1.0 109.821 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -69.45 -45.61 59.4 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.434 -0.889 . . . . 1.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.12 70.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.758 -1.437 . . . . 1.0 110.27 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 650' ' ' TYR . 2.1 p -69.63 -43.23 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.904 -1.123 . . . . 1.0 108.35 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.527 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 49.8 t-80 -53.92 -32.47 53.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 1.0 108.79 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -64.83 -30.5 71.5 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.926 -1.139 . . . . 1.0 107.926 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.525 HD11 HE21 ' A' ' 565' ' ' GLN . 0.8 OUTLIER -69.03 -43.85 73.9 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.958 -1.127 . . . . 1.0 107.958 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.946 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.0 OUTLIER -62.3 -40.27 95.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.142 -1.058 . . . . 1.0 108.142 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.52 ' OE1' ' NH1' ' A' ' 621' ' ' ARG . 75.4 mm-40 -72.85 -46.27 53.81 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.184 -0.947 . . . . 1.0 109.401 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.1 m-85 -62.38 -47.27 84.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.03 -1.044 . . . . 1.0 109.129 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.36 88.6 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.167 -0.958 . . . . 1.0 108.642 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.52 ' NH1' ' OE1' ' A' ' 618' ' ' GLU . 0.0 OUTLIER -68.78 -37.43 79.31 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.691 -0.63 . . . . 1.0 109.767 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.4 m -57.22 -44.5 83.79 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.099 -1.0 . . . . 1.0 109.098 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.331 -0.856 . . . . 1.0 109.694 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 627' ' ' ALA . 53.6 t -58.17 -37.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.3 -0.875 . . . . 1.0 109.492 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 57.8 m 51.55 -146.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.215 -0.928 . . . . 1.0 109.694 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.574 ' O ' ' HB3' ' A' ' 627' ' ' ALA . 24.2 m -55.57 -40.69 72.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.33 -0.856 . . . . 1.0 109.92 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 626' ' ' SER . . . 70.07 -13.75 0.41 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.214 -0.929 . . . . 1.0 109.39 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 626' ' ' SER . 41.5 p -80.68 -22.98 39.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.314 -0.866 . . . . 1.0 109.432 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -85.2 1.39 48.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.238 -0.914 . . . . 1.0 109.558 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 44.7 m -65.85 131.19 45.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 1.0 109.431 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 83.9 p -64.38 -38.99 92.97 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 1.0 109.414 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -101.17 123.89 46.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.355 -0.841 . . . . 1.0 109.35 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -82.92 -22.42 33.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.225 -0.922 . . . . 1.0 109.626 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 15.8 m -60.94 -41.72 96.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.941 . . . . 1.0 109.425 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 698' ' ' ASN . 4.1 mm? -60.05 -46.8 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0 109.356 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . 0.467 ' CD2' ' HB1' ' A' ' 627' ' ' ALA . 11.6 t-160 -61.39 -46.11 91.51 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.39 74.04 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.849 -0.796 . . . . 1.0 108.849 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . 0.58 ' NZ ' ' CE2' ' A' ' 694' ' ' PHE . 2.6 mtpp -62.85 -44.92 94.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.409 -0.807 . . . . 1.0 108.992 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 639' ' ' LEU . 6.2 tt -66.84 -46.9 73.64 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.356 -0.84 . . . . 1.0 109.756 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 18.6 m -63.37 -42.09 98.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.818 . . . . 1.0 109.906 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 -59.77 -46.54 88.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.0 109.756 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -68.54 -33.83 74.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.261 -0.9 . . . . 1.0 109.701 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.01 -45.34 85.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 1.0 109.641 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.18 -35.07 76.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 1.0 108.769 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 649' ' ' VAL . 32.0 ttpt -63.91 -36.73 84.91 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.2 -1.037 . . . . 1.0 108.2 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.2 mtp -69.58 -37.57 77.02 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.579 ' OE2' HD23 ' A' ' 617' ' ' LEU . 61.8 mm-40 -59.7 -49.74 76.56 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.325 -0.991 . . . . 1.0 108.325 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.85 -41.21 99.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.799 -0.563 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 645' ' ' LYS . 95.7 t -74.57 -37.29 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.0 109.75 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.946 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -62.94 -46.29 88.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.0 109.11 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -70.17 -29.42 66.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 1.0 109.561 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 86.9 m -57.54 -41.86 81.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.228 -0.92 . . . . 1.0 109.252 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 657' ' ' GLY . 3.4 mt -67.77 -39.81 84.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.351 -0.843 . . . . 1.0 109.084 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.527 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 99.6 t -60.6 -44.22 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.314 -0.866 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.621 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.8 t -67.21 -47.2 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.206 -1.035 . . . . 1.0 108.206 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -60.89 -37.08 80.96 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 107.887 -1.153 . . . . 1.0 107.887 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.19 -47.87 28.12 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.176 -1.57 . . . . 1.0 109.176 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -59.33 -35.29 73.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.167 -1.196 . . . . 1.0 109.222 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.1 t -68.68 -35.0 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.0 109.181 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.551 HD11 HD23 ' A' ' 602' ' ' LEU . 6.2 tt -55.27 -36.36 66.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.485 -0.759 . . . . 1.0 109.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -67.94 123.05 19.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 1.0 109.649 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 89.3 p -60.52 -27.79 67.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 1.0 109.658 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.11 -117.77 11.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.496 -1.442 . . . . 1.0 109.496 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -142.29 73.19 1.4 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.298 -1.119 . . . . 1.0 109.479 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.74 6.34 63.9 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.658 -1.377 . . . . 1.0 109.658 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.48 52.03 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.543 -1.423 . . . . 1.0 109.543 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.0 134.06 48.08 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.875 2.383 . . . . 1.0 112.208 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -92.05 179.05 40.86 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.494 -1.442 . . . . 1.0 109.494 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 35.8 p90 -143.69 163.2 33.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -1.129 . . . . 1.0 109.47 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 24.7 p -133.38 -178.02 4.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.163 -0.961 . . . . 1.0 109.95 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.45 -24.48 20.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 1.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -66.31 -46.95 75.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.186 -0.946 . . . . 1.0 109.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -56.2 -37.22 69.35 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.262 -0.899 . . . . 1.0 109.502 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.34 -35.7 79.93 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.294 -0.879 . . . . 1.0 109.651 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -60.04 -36.22 76.82 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.441 -1.318 . . . . 1.0 107.441 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -70.35 -41.47 73.13 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.78 -48.76 52.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 1.0 108.918 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.24 -31.9 43.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.209 -0.932 . . . . 1.0 108.505 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.85 -46.29 58.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.427 -0.795 . . . . 1.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.41 -38.39 87.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.168 -0.958 . . . . 1.0 109.398 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.622 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -56.17 -33.68 65.47 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.312 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -76.17 -28.95 57.53 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.786 -1.196 . . . . 1.0 109.54 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.5 70.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.204 -0.935 . . . . 1.0 111.27 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.1 t -58.31 -52.49 74.22 Favored Pre-proline 0 N--CA 1.497 1.919 0 O-C-N 120.867 -1.146 . . . . 1.0 112.117 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.622 ' CD ' ' O ' ' A' ' 681' ' ' SER . 21.6 Cg_endo -62.34 -42.29 28.95 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.813 1.675 . . . . 1.0 113.044 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.84 -42.15 81.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.722 -1.237 . . . . 1.0 108.48 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -75.11 -32.95 61.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.445 -0.785 . . . . 1.0 109.213 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -60.66 -38.77 85.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.121 -0.987 . . . . 1.0 108.766 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -67.06 -36.87 82.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.0 108.796 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -63.65 -44.44 93.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.16 -35.18 73.06 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.436 -0.95 . . . . 1.0 108.436 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.14 73.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.442 -0.786 . . . . 1.0 109.102 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 21.3 t -69.84 -40.38 75.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.237 -0.914 . . . . 1.0 109.609 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.58 ' CE2' ' NZ ' ' A' ' 638' ' ' LYS . 3.1 m-85 -61.91 -43.3 99.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.111 -0.993 . . . . 1.0 108.89 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 699' ' ' ALA . 9.0 mp -64.43 -35.38 80.72 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.297 -0.877 . . . . 1.0 109.01 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -69.29 -44.44 71.81 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.313 -0.867 . . . . 1.0 110.34 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.22 -25.67 60.41 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.653 -1.379 . . . . 1.0 109.653 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.572 HD21 HD12 ' A' ' 639' ' ' LEU . 29.0 p30 -120.19 2.71 10.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.318 -1.107 . . . . 1.0 109.646 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.76 -39.73 59.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.435 -0.791 . . . . 1.0 109.903 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 704' ' ' ARG . 67.0 m -52.42 -34.38 48.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.078 -1.014 . . . . 1.0 108.82 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.3 mp -87.58 -41.16 13.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.418 -0.801 . . . . 1.0 110.273 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.505 HD11 ' OD1' ' A' ' 698' ' ' ASN . 70.6 mt -55.54 -34.65 64.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.847 -1.158 . . . . 1.0 109.131 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 44.5 m-85 -104.89 -97.54 0.33 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 1.0 109.71 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' A' ' 700' ' ' SER . 96.8 mtt180 -139.95 -101.77 0.16 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.098 -1.001 . . . . 1.0 110.218 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 47.85 51.06 14.81 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 1.0 109.112 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 19.9 p -96.57 163.97 12.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 1.0 109.624 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -120.45 146.41 46.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.22 -0.925 . . . . 1.0 109.431 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.992 -1.004 . . . . 1.0 109.436 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.799 0 N-CA-C 119.432 2.533 . . . . 1.0 119.432 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 83.2 p -146.89 164.97 31.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -1.162 . . . . 1.0 109.553 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 81.15 63.37 1.88 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.473 -1.451 . . . . 1.0 109.473 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -52.26 -38.31 57.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -1.202 . . . . 1.0 109.406 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.58 158.63 73.0 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.215 -0.928 . . . . 1.0 109.666 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -41.78 148.54 0.32 Allowed 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.771 2.314 . . . . 1.0 112.355 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 49.9 mt -92.04 160.35 15.27 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.373 -0.829 . . . . 1.0 109.328 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -108.37 156.41 19.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.233 -0.917 . . . . 1.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.615 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -55.79 -40.77 73.14 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.372 -0.83 . . . . 1.0 109.591 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.72 -43.66 88.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.269 -0.894 . . . . 1.0 110.051 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.13 -44.42 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 107.602 -1.259 . . . . 1.0 107.602 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -59.83 -40.68 89.31 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.753 -0.592 . . . . 1.0 109.744 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -38.96 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 120.788 -1.195 . . . . 1.0 108.714 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -70.61 -50.6 35.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.419 -0.801 . . . . 1.0 109.736 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.1 t -61.22 -42.8 99.24 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.848 -1.157 . . . . 1.0 109.694 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' A' ' 560' ' ' THR . 6.3 tp -71.26 -37.84 71.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.016 -1.053 . . . . 1.0 109.309 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.428 ' O ' ' OE1' ' A' ' 566' ' ' GLN . . . -65.9 -41.33 91.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.485 -0.759 . . . . 1.0 109.89 -178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 564' ' ' LEU . 15.0 ptt180 -61.38 -32.05 71.96 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.065 -1.022 . . . . 1.0 108.69 -179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.5 mp -70.68 -37.96 73.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.496 -0.753 . . . . 1.0 109.953 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.503 HE22 ' CB ' ' A' ' 688' ' ' ALA . 32.5 mm-40 -61.66 -31.06 71.15 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.259 -0.901 . . . . 1.0 109.989 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . 0.44 ' N ' ' NE2' ' A' ' 566' ' ' GLN . 1.4 mp0 -79.22 -47.77 15.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.031 -1.043 . . . . 1.0 108.283 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.19 -33.56 87.56 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.735 -1.346 . . . . 1.0 109.735 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 564' ' ' LEU . 74.9 t -70.48 -48.52 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -1.215 . . . . 1.0 108.94 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.8 m -66.03 -37.37 85.69 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.343 -0.848 . . . . 1.0 108.921 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 91.4 m -62.74 -42.68 99.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.608 -0.683 . . . . 1.0 110.594 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 567' ' ' GLY . 79.8 p -68.81 -35.18 76.67 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.05 -1.031 . . . . 1.0 110.228 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.52 HG13 ' OG ' ' A' ' 681' ' ' SER . 77.3 t -65.37 -35.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.016 -1.052 . . . . 1.0 108.929 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.56 94.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.188 -0.945 . . . . 1.0 108.994 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . 0.649 ' CD2' ' N ' ' A' ' 575' ' ' LEU . 0.1 OUTLIER -60.81 -47.39 86.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 1.0 109.393 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.649 ' N ' ' CD2' ' A' ' 574' ' ' HIS . 2.2 tt -57.05 -46.97 82.02 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 1.0 109.623 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -31.0 67.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.0 109.369 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -71.77 -36.68 70.44 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.258 -0.901 . . . . 1.0 109.257 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.6 tp -71.09 -45.39 63.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 1.0 109.608 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 575' ' ' LEU . 19.6 m -77.8 -32.16 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 1.0 109.55 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.11 99.73 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.569 -1.413 . . . . 1.0 109.569 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 582' ' ' ALA . 28.5 m -62.98 -35.72 81.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -1.136 . . . . 1.0 109.603 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 581' ' ' SER . . . 61.7 143.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.245 -0.909 . . . . 1.0 109.46 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.1 m -57.87 -35.66 71.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 1.0 109.371 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -171.71 -170.99 36.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -53.09 -27.43 36.65 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.907 2.405 . . . . 1.0 112.304 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 88.65 165.1 40.95 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.83 138.49 16.22 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.563 -1.415 . . . . 1.0 109.563 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -58.62 -47.81 83.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -1.128 . . . . 1.0 109.55 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -172.11 -22.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 1.0 109.391 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.9 m -55.45 -39.98 71.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 1.0 109.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 26.3 p -132.86 152.08 51.91 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.297 -0.877 . . . . 1.0 109.41 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 48.3 p -92.0 -1.74 57.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.211 -0.931 . . . . 1.0 109.654 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 51.18 67.28 4.41 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 1.0 109.673 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.04 141.16 48.18 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.74 2.293 . . . . 1.0 112.027 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -98.68 61.18 1.33 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.157 -0.964 . . . . 1.0 109.604 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 1.1 tm-20 -93.75 -45.74 0.3 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.879 . . . . 1.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 7.9 Cg_exo -58.86 -45.06 30.95 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.067 1.844 . . . . 1.0 112.824 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 71.5 Cg_endo -82.16 18.78 1.35 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.093 1.862 . . . . 1.0 112.128 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . 0.571 HG13 ' N ' ' A' ' 600' ' ' GLN . 9.6 p -58.64 -43.27 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.47 -0.769 . . . . 1.0 109.916 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . 0.571 ' N ' HG13 ' A' ' 599' ' ' VAL . 94.0 mt-30 -64.91 -44.94 87.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 1.0 109.252 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.31 -39.49 90.68 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.355 -0.841 . . . . 1.0 109.312 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.9 -42.2 58.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.384 -0.822 . . . . 1.0 109.133 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -64.4 -38.0 89.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.448 -0.782 . . . . 1.0 109.403 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.78 -35.13 72.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.394 -0.816 . . . . 1.0 109.596 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . 0.475 ' HB1' ' NE2' ' A' ' 574' ' ' HIS . . . -68.36 -47.8 66.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 1.0 110.01 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 607' ' ' ALA . 12.2 p -70.15 -36.87 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.05 -1.031 . . . . 1.0 109.502 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -62.13 -42.37 99.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 1.0 109.444 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.34 89.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 0.4 OUTLIER -60.76 -41.8 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.258 -0.901 . . . . 1.0 109.321 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.565 ' CE1' ' CG2' ' A' ' 654' ' ' VAL . 10.8 t-80 -61.93 -31.61 71.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.233 -0.917 . . . . 1.0 109.405 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -65.16 -45.76 90.43 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 121.519 -0.738 . . . . 1.0 111.439 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.91 78.14 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.734 -1.45 . . . . 1.0 110.43 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.699 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.0 OUTLIER -72.64 -40.5 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.007 -1.058 . . . . 1.0 108.287 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.489 ' CE1' ' OE2' ' A' ' 618' ' ' GLU . 11.4 t-160 -54.96 -37.42 66.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 1.0 108.866 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.64 -30.23 71.25 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.4 tp -70.64 -43.44 69.19 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.506 -0.924 . . . . 1.0 108.506 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -61.99 -39.42 92.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.809 -1.182 . . . . 1.0 107.809 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 614' ' ' HIS . 96.6 mt-10 -72.49 -45.26 60.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -0.808 . . . . 1.0 109.358 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.497 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.4 m-30 -63.81 -46.48 84.97 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.157 -0.964 . . . . 1.0 108.799 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -67.35 -39.97 85.8 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.373 -0.973 . . . . 1.0 108.373 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 617' ' ' LEU . 0.0 OUTLIER -69.0 -39.64 79.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.658 -0.651 . . . . 1.0 109.76 -179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 24.1 t -55.86 -44.02 77.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.174 -0.954 . . . . 1.0 109.036 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.33 84.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.438 -0.789 . . . . 1.0 109.533 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.09 -40.1 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.87 . . . . 1.0 109.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.5 t -56.88 -36.61 70.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 1.0 109.826 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 23.2 t -59.59 -34.77 73.14 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 1.0 109.099 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -69.98 172.89 7.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 1.0 109.806 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 631' ' ' SER . 14.2 t -130.11 155.52 46.05 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.207 -0.933 . . . . 1.0 109.615 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -71.6 -26.29 62.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.284 -0.885 . . . . 1.0 109.554 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 28.4 m -54.95 -38.66 68.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.567 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.461 ' H ' HG23 ' A' ' 628' ' ' THR . 54.6 p -73.78 158.41 34.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.283 -0.886 . . . . 1.0 109.584 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -149.07 99.6 2.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 1.0 109.29 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -123.15 147.3 46.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 1.0 109.267 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 634' ' ' THR . 0.0 OUTLIER -63.75 -38.52 91.41 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 1.0 109.492 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 697' ' ' GLY . 76.6 mt -59.26 -47.06 86.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 1.0 109.401 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -65.02 -43.54 92.15 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.465 -0.939 . . . . 1.0 108.465 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.85 78.06 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.86 84.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.461 -0.774 . . . . 1.0 109.399 178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -46.33 86.83 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.398 -0.814 . . . . 1.0 109.53 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.6 p -59.08 -40.94 86.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 1.0 109.872 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -46.49 90.34 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.295 -0.878 . . . . 1.0 109.917 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -67.52 -33.35 74.9 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.063 -1.023 . . . . 1.0 110.25 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.98 -44.71 79.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.001 -1.062 . . . . 1.0 109.706 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.66 -31.63 72.54 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 1.0 109.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -63.99 -38.59 91.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.151 -1.055 . . . . 1.0 108.151 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.509 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 3.1 mtp -69.61 -37.45 76.86 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.481 -0.933 . . . . 1.0 108.481 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -59.63 -50.66 72.99 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.571 0.7 . . . . 1.0 109.381 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.41 -41.83 96.41 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.614 -0.679 . . . . 1.0 109.713 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 96.9 t -71.54 -36.86 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 1.0 109.585 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-30 -57.62 -50.92 71.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 1.0 109.873 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -64.54 -32.51 74.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 1.0 109.627 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.439 HG22 ' CD2' ' A' ' 656' ' ' HIS . 90.9 m -58.29 -40.83 83.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 1.0 109.186 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.4 -42.48 87.8 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.277 -0.889 . . . . 1.0 109.327 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.565 ' CG2' ' CE1' ' A' ' 610' ' ' HIS . 87.8 t -62.14 -44.11 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.371 -0.831 . . . . 1.0 110.148 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 659' ' ' VAL . 74.8 t -65.43 -47.18 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 120.782 -1.199 . . . . 1.0 108.469 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . 0.439 ' CD2' HG22 ' A' ' 652' ' ' THR . 7.8 m-70 -58.73 -38.75 79.05 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.332 -0.988 . . . . 1.0 108.332 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.13 -45.12 26.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.0 109.545 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -56.07 -37.88 69.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.177 -1.19 . . . . 1.0 109.468 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 662' ' ' SER . 79.3 t -65.83 -36.66 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 1.0 109.249 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 660' ' ' LEU . 2.1 tt -58.84 -35.51 73.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.0 109.273 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.63 -41.28 76.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.142 -0.974 . . . . 1.0 109.429 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 659' ' ' VAL . 23.9 t -156.27 157.02 35.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.236 -0.915 . . . . 1.0 109.508 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -131.48 77.0 0.4 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -54.06 -37.14 63.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -1.154 . . . . 1.0 109.422 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -53.33 -36.85 54.04 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.456 -1.457 . . . . 1.0 109.456 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 128.93 -172.67 19.55 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.08 146.03 60.99 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.97 2.447 . . . . 1.0 112.223 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 161.08 -4.95 0.09 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.446 -1.462 . . . . 1.0 109.446 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.408 ' CE1' ' CB ' ' A' ' 673' ' ' ASP . 0.3 OUTLIER -95.48 124.96 39.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -1.109 . . . . 1.0 109.43 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.59 -166.57 2.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 1.0 109.558 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.19 -24.85 63.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.878 . . . . 1.0 109.401 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -63.88 -49.26 73.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.282 -0.886 . . . . 1.0 109.619 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.408 ' CB ' ' CE1' ' A' ' 669' ' ' PHE . 49.2 m-20 -56.99 -36.79 70.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.24 -0.912 . . . . 1.0 109.821 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 678' ' ' VAL . 84.9 mt -61.51 -34.76 76.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.163 -0.96 . . . . 1.0 109.308 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -60.72 -35.57 76.66 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.43 -1.322 . . . . 1.0 107.43 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -71.03 -43.03 68.73 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.5 -46.97 62.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.089 -1.007 . . . . 1.0 108.857 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 674' ' ' LEU . 75.0 t -56.82 -30.57 33.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.36 -46.11 61.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.513 -0.742 . . . . 1.0 109.15 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 11.4 m -64.43 -39.48 93.92 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.258 -0.901 . . . . 1.0 109.26 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.566 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.34 -33.86 68.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.298 -0.876 . . . . 1.0 110.51 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 -73.83 -27.17 60.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.701 -1.249 . . . . 1.0 109.613 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.93 76.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.504 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -60.69 -54.29 56.03 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.246 -0.909 . . . . 1.0 112.354 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.566 ' CD ' ' O ' ' A' ' 681' ' ' SER . 24.3 Cg_endo -62.49 -42.72 25.58 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 121.771 1.647 . . . . 1.0 112.985 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.18 -42.68 93.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.056 -1.027 . . . . 1.0 108.869 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -73.43 -35.2 65.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.422 -0.799 . . . . 1.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.503 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -61.1 -42.14 97.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.871 -1.143 . . . . 1.0 109.019 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.17 -37.95 88.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.427 -0.796 . . . . 1.0 109.987 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.98 -41.87 97.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.107 -0.996 . . . . 1.0 109.971 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.75 -34.62 76.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.954 -1.091 . . . . 1.0 108.859 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.32 69.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.368 -0.832 . . . . 1.0 109.009 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 16.5 m -68.85 -41.18 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 1.0 109.334 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.435 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.3 m-30 -65.22 -33.01 74.98 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.43 -37.46 80.98 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.15 -1.056 . . . . 1.0 108.15 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 4.7 t60 -66.12 -46.76 76.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.515 -0.74 . . . . 1.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . 0.49 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -54.56 -28.43 45.14 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.045 -1.222 . . . . 1.0 110.045 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 702' ' ' LEU . 0.8 OUTLIER -109.24 3.07 21.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.922 -1.34 . . . . 1.0 109.597 -179.455 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.615 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -59.91 -23.83 63.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.0 109.509 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 18.9 m -69.63 -50.09 47.6 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.125 -0.984 . . . . 1.0 109.325 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.5 tp -103.48 -8.08 20.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 110.591 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 698' ' ' ASN . 32.8 tp -74.08 -27.31 60.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.777 -1.202 . . . . 1.0 108.657 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' A' ' 704' ' ' ARG . 31.7 m-85 -128.88 -63.54 0.96 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.335 -0.853 . . . . 1.0 109.496 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.539 ' C ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER -35.8 -48.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.239 -0.913 . . . . 1.0 109.303 -178.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -120.11 138.93 53.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.255 -0.903 . . . . 1.0 109.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.66 100.31 0.58 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 1.0 109.552 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.69 -36.0 71.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.926 . . . . 1.0 109.47 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.044 -0.979 . . . . 1.0 109.473 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.861 0 N-CA-C 119.448 2.539 . . . . 1.0 119.448 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 20.8 m -136.95 33.86 2.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.193 -1.181 . . . . 1.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 81.06 30.06 39.45 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.457 -1.457 . . . . 1.0 109.457 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 46.72 74.3 0.15 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.327 -1.102 . . . . 1.0 109.748 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -131.02 78.43 73.33 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.227 -0.921 . . . . 1.0 109.164 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.73 146.68 75.97 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.405 2.07 . . . . 1.0 112.329 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 48.9 mt -94.94 170.64 9.29 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 1.0 109.293 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -108.25 157.96 17.88 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.906 HD13 ' HB1' ' A' ' 699' ' ' ALA . 21.3 tp -57.41 -38.02 73.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -0.903 . . . . 1.0 109.122 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.39 -42.56 96.13 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.495 -0.753 . . . . 1.0 110.015 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.94 -44.81 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.723 -1.235 . . . . 1.0 107.892 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -62.2 -42.24 99.11 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.04 -0.726 . . . . 1.0 109.04 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.66 -42.44 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.069 -1.02 . . . . 1.0 108.985 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.65 -49.05 57.45 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.298 -0.876 . . . . 1.0 109.149 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 564' ' ' LEU . 32.3 m -59.71 -46.11 90.07 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.09 -1.006 . . . . 1.0 110.171 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.825 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.9 tm? -57.09 -48.77 77.8 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.067 -1.021 . . . . 1.0 110.034 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.402 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.18 -44.3 95.16 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.258 -0.901 . . . . 1.0 109.845 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.4 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 19.6 mtp-105 -68.64 -38.02 80.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.131 -0.981 . . . . 1.0 109.463 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.756 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.3 mp -71.05 -37.76 72.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.849 . . . . 1.0 109.175 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -62.52 -31.45 72.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.739 . . . . 1.0 110.114 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -78.37 -44.15 25.75 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.144 -0.973 . . . . 1.0 108.787 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.782 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.5 -32.0 82.76 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.411 -1.475 . . . . 1.0 109.411 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 564' ' ' LEU . 92.3 t -72.11 -50.14 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.104 -1.233 . . . . 1.0 108.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.7 t -67.62 -38.94 84.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.278 -0.889 . . . . 1.0 108.963 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 93.6 m -62.48 -43.98 97.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.453 -0.78 . . . . 1.0 110.117 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 567' ' ' GLY . 67.4 p -68.31 -32.85 73.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.0 109.832 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 568' ' ' VAL . 70.1 t -62.8 -39.47 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.922 . . . . 1.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.42 81.45 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.052 -1.03 . . . . 1.0 108.303 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -58.85 -49.02 79.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.615 -0.678 . . . . 1.0 109.53 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 579' ' ' VAL . 60.8 tp -56.77 -45.53 82.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.408 -0.808 . . . . 1.0 109.505 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.55 -41.12 69.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 1.0 109.295 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -57.7 -41.32 81.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.268 -0.895 . . . . 1.0 108.894 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.12 -37.23 85.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.387 -0.821 . . . . 1.0 109.303 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 575' ' ' LEU . 72.0 t -57.91 -37.77 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.28 -0.888 . . . . 1.0 109.424 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -52.08 -35.74 42.01 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.506 -1.438 . . . . 1.0 109.506 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 69.9 m -85.57 5.03 33.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -1.162 . . . . 1.0 109.494 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -61.3 149.96 36.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 1.0 109.477 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 20.6 t -66.06 151.47 46.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.242 -0.911 . . . . 1.0 109.524 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -139.06 -167.25 10.88 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.588 -1.405 . . . . 1.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -51.81 145.81 30.34 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.846 2.364 . . . . 1.0 112.127 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -85.44 70.39 3.09 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 1.0 109.552 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.29 -33.4 58.18 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.411 . . . . 1.0 109.571 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 589' ' ' ARG . 95.1 m95 -114.12 154.52 27.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -1.153 . . . . 1.0 109.458 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 588' ' ' TRP . 58.4 ttp180 55.33 104.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 1.0 109.523 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 78.3 p -68.9 173.06 5.69 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 1.0 109.574 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 4.5 m 57.24 48.74 14.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 1.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 59.8 p -70.57 166.21 21.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 1.0 109.763 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 593' ' ' GLU . 2.6 mm-40 -70.54 152.44 95.37 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.252 -0.905 . . . . 1.0 109.218 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 595' ' ' GLN . 41.9 Cg_endo -69.56 -178.27 2.19 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.357 2.038 . . . . 1.0 111.951 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 594' ' ' PRO . 82.9 mt-30 -60.0 -113.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 1.0 109.326 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 47.24 66.08 6.12 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.219 -0.925 . . . . 1.0 110.194 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -84.73 162.93 12.25 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.717 2.278 . . . . 1.0 112.126 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -41.28 95.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.477 2.118 . . . . 1.0 112.136 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.8 -41.5 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.296 -0.878 . . . . 1.0 109.921 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -54.45 -48.28 71.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 1.0 109.338 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -58.56 -32.71 69.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 1.0 109.445 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 4.9 mp -76.51 -39.92 51.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.288 -0.882 . . . . 1.0 109.317 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -60.68 -37.66 82.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.459 -0.776 . . . . 1.0 109.68 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.41 76.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.923 . . . . 1.0 110.091 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -69.66 -47.3 63.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.225 -0.922 . . . . 1.0 110.227 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 610' ' ' HIS . 4.4 p -70.05 -37.77 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.97 -1.081 . . . . 1.0 109.737 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -63.38 -41.87 98.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 1.0 110.091 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.26 95.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.142 -0.974 . . . . 1.0 110.073 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.2 -45.77 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.99 -1.069 . . . . 1.0 109.146 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.728 ' CD2' HG22 ' A' ' 606' ' ' VAL . 15.6 m-70 -60.79 -37.28 81.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 1.0 109.302 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -68.15 -45.87 68.67 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 110.128 -1.189 . . . . 1.0 110.128 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.22 82.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.063 -1.257 . . . . 1.0 109.69 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CZ ' ' A' ' 650' ' ' TYR . 45.5 t -67.26 -44.25 87.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 121.129 -0.982 . . . . 1.0 108.75 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -53.99 -35.96 62.4 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.507 -0.923 . . . . 1.0 108.507 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -58.72 -35.67 73.04 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.69 -34.55 74.1 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.717 -0.846 . . . . 1.0 108.717 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.491 HD21 ' CE ' ' A' ' 646' ' ' MET . 83.0 mt -75.2 -46.36 34.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.776 -0.578 . . . . 1.0 111.003 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -72.48 -46.76 53.3 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.74 -1.225 . . . . 1.0 110.95 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.738 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -68.15 -41.24 81.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.78 -1.2 . . . . 1.0 109.027 -178.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.738 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.68 -40.27 95.1 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.433 -1.321 . . . . 1.0 107.433 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -58.6 -37.35 75.64 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.368 -0.975 . . . . 1.0 108.368 178.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 25.0 p -60.66 -37.67 82.32 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.541 -0.911 . . . . 1.0 108.541 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.32 91.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.39 -0.819 . . . . 1.0 109.192 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.02 -42.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.315 -0.866 . . . . 1.0 109.078 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 84.9 p -61.86 -33.7 74.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.292 -0.88 . . . . 1.0 109.77 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 87.0 p -81.81 -7.21 59.58 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 628' ' ' THR . . . -77.43 -139.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.736 -0.602 . . . . 1.0 110.071 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 627' ' ' ALA . 0.0 OUTLIER 53.9 100.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 1.0 109.672 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -167.92 -8.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.145 -0.972 . . . . 1.0 109.568 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 632' ' ' ASP . 3.9 t -143.32 -167.12 2.48 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 1.0 109.609 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.502 ' N ' HG23 ' A' ' 630' ' ' THR . 58.5 m -72.23 22.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 1.0 109.499 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 630' ' ' THR . 87.6 m-20 51.89 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.89 . . . . 1.0 109.466 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -70.32 174.79 5.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.198 -0.939 . . . . 1.0 109.518 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 68.2 p -60.44 -25.33 65.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.25 -0.906 . . . . 1.0 110.084 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 57.9 mt -56.39 -44.52 80.32 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.122 -0.986 . . . . 1.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.79 -46.07 91.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.056 -1.028 . . . . 1.0 108.385 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.08 77.62 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.17 91.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.6 -0.688 . . . . 1.0 109.828 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.82 -47.06 85.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.196 -0.94 . . . . 1.0 110.328 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.0 m -64.94 -41.19 95.72 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.247 -0.908 . . . . 1.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 641' ' ' ARG . 0.2 OUTLIER -61.97 -46.02 91.08 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.807 -1.183 . . . . 1.0 110.256 -179.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.521 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 89.6 mt-30 -76.59 -38.58 54.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.029 -1.044 . . . . 1.0 110.217 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 2.6 tt -68.35 -48.28 65.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.012 -1.055 . . . . 1.0 110.036 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.21 -34.99 78.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 1.0 109.293 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 649' ' ' VAL . 13.4 ttpt -61.59 -36.65 81.28 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 107.591 -1.262 . . . . 1.0 107.591 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.491 ' CE ' HD21 ' A' ' 617' ' ' LEU . 0.6 OUTLIER -68.88 -32.45 72.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.375 -0.972 . . . . 1.0 108.375 179.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -74.42 -44.59 51.21 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.592 0.71 . . . . 1.0 109.224 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 652' ' ' THR . 42.0 t0 -60.87 -43.27 98.63 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 650' ' ' TYR . 31.2 m -67.95 -43.48 85.69 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.317 -0.864 . . . . 1.0 109.822 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.723 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.1 OUTLIER -61.16 -35.53 77.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.925 -1.11 . . . . 1.0 109.937 -179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.54 -33.62 71.35 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.911 -1.118 . . . . 1.0 109.424 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 648' ' ' ASP . 71.6 p -73.16 -35.76 66.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 1.0 109.058 178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.55 -34.51 72.32 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.393 -0.817 . . . . 1.0 109.504 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.2 t -60.57 -44.48 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.18 -0.95 . . . . 1.0 109.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 659' ' ' VAL . 75.0 t -68.7 -43.17 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 120.923 -1.111 . . . . 1.0 108.722 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 652' ' ' THR . 53.2 m-70 -63.59 -40.98 98.35 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.87 -38.71 40.88 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 7.1 mm-40 -55.82 -29.41 59.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.599 -1.53 . . . . 1.0 109.407 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.9 t -63.11 -39.49 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.308 -0.87 . . . . 1.0 109.639 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.25 -36.54 73.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.134 -0.979 . . . . 1.0 109.721 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 662' ' ' SER . 65.6 t0 -76.52 133.48 39.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -0.92 . . . . 1.0 109.655 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 661' ' ' ASP . 1.3 p 74.76 126.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.24 -0.912 . . . . 1.0 109.529 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -157.23 108.44 0.36 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.533 -1.427 . . . . 1.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -54.87 -38.37 67.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.299 -1.118 . . . . 1.0 109.494 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 143.21 -32.39 1.88 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.687 -1.365 . . . . 1.0 109.687 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -62.55 -171.83 1.46 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.47 140.25 28.11 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.053 2.502 . . . . 1.0 112.444 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -152.53 -95.54 0.12 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 21.2 p90 -137.6 168.76 19.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -1.164 . . . . 1.0 109.471 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . 0.733 HG23 ' H ' ' A' ' 672' ' ' ASP . 12.4 t -138.59 174.55 10.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.144 -0.973 . . . . 1.0 110.2 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 88.4 mt -51.98 -24.21 6.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 1.0 109.62 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . 0.733 ' H ' HG23 ' A' ' 670' ' ' THR . 20.0 t70 -67.99 -46.09 72.3 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.304 -0.872 . . . . 1.0 108.697 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.1 -36.02 72.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.58 -0.7 . . . . 1.0 109.318 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 674' ' ' LEU . 4.2 mm? -64.37 -34.41 78.1 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.328 -0.858 . . . . 1.0 108.975 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -60.79 -34.65 74.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.906 -1.516 . . . . 1.0 106.906 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -71.59 -43.23 66.63 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.06 -46.69 61.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.085 -1.009 . . . . 1.0 108.561 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.97 -32.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.781 -1.192 . . . . 1.0 107.781 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.52 68.05 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.776 -0.824 . . . . 1.0 108.776 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 79.7 m -65.95 -35.65 81.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.284 -0.885 . . . . 1.0 109.189 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.641 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -59.22 -35.52 73.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.344 -0.848 . . . . 1.0 110.546 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.9 ptt85 -77.77 -29.24 50.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.773 -1.205 . . . . 1.0 110.221 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -69.7 -47.34 63.54 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.04 -1.037 . . . . 1.0 111.527 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.3 t -57.54 -51.82 78.9 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 120.932 -1.105 . . . . 1.0 112.43 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.641 ' CD ' ' O ' ' A' ' 681' ' ' SER . 14.8 Cg_endo -59.12 -42.53 50.04 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 121.834 1.689 . . . . 1.0 112.634 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.939 -1.134 . . . . 1.0 107.939 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -74.9 -29.5 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.748 . . . . 1.0 109.137 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.36 -42.01 90.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.165 -0.96 . . . . 1.0 108.765 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -64.67 -42.77 95.16 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.465 -0.772 . . . . 1.0 109.149 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -67.6 -40.65 84.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.259 -0.9 . . . . 1.0 108.811 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.23 -36.52 77.9 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.676 -0.861 . . . . 1.0 108.676 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.515 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -59.19 -37.61 77.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 1.0 109.514 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 27.6 t -64.98 -37.72 88.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.958 . . . . 1.0 109.867 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.521 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 2.7 m-85 -66.25 -39.06 89.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 1.0 109.23 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -60.82 -37.8 83.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.092 -1.005 . . . . 1.0 108.696 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 50.5 m80 -66.08 -44.08 85.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.771 . . . . 1.0 110.501 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -61.89 -24.6 64.86 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.924 -1.27 . . . . 1.0 109.924 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.637 ' ND2' ' N ' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.38 4.77 13.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -1.181 . . . . 1.0 109.702 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.906 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -50.75 -39.29 51.76 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.122 -0.986 . . . . 1.0 109.162 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.0 t -50.79 -38.53 48.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.396 -0.815 . . . . 1.0 110.417 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 701' ' ' LEU . 28.6 tp -89.57 -41.95 11.7 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.953 -1.092 . . . . 1.0 111.105 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 59.5 mt -52.84 -34.08 52.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.669 -1.27 . . . . 1.0 108.253 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 4.7 m-85 -123.57 -72.8 0.66 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.503 -0.748 . . . . 1.0 109.272 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 29.0 ttt-85 75.53 106.82 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.021 -1.05 . . . . 1.0 109.789 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 143.89 57.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.0 109.451 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 708' ' ' ALA . 0.1 OUTLIER -131.95 0.25 3.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.0 109.437 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 53.52 -86.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 1.0 109.396 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 706' ' ' THR . . . . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.091 -0.957 . . . . 1.0 109.554 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.842 0 N-CA-C 119.399 2.52 . . . . 1.0 119.399 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 66.8 m 47.13 29.21 1.09 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.203 -1.175 . . . . 1.0 109.521 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -52.03 -31.4 32.77 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -147.93 156.97 43.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -1.102 . . . . 1.0 109.455 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.01 153.29 60.27 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.274 -0.891 . . . . 1.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -76.45 -164.99 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.533 2.155 . . . . 1.0 112.371 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 43.6 mt -69.98 -178.57 1.62 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.413 -0.804 . . . . 1.0 109.27 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 49.2 mp0 -106.61 155.17 19.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.0 109.183 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.58 -36.59 71.91 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.267 -0.896 . . . . 1.0 110.178 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.11 -39.55 92.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.986 -1.072 . . . . 1.0 110.395 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 73.6 t -69.48 -43.9 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 1.0 107.72 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.99 97.89 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.321 -0.992 . . . . 1.0 108.321 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.4 -42.1 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.46 -0.775 . . . . 1.0 109.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.4 -49.22 44.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 1.0 109.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 23.9 m -60.9 -43.47 98.46 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.123 -0.986 . . . . 1.0 109.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.823 HD13 ' C ' ' A' ' 561' ' ' LEU . 2.6 tm? -56.01 -48.91 75.04 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.055 -1.028 . . . . 1.0 108.591 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 561' ' ' LEU . . . -60.43 -45.98 91.67 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.534 -0.729 . . . . 1.0 109.074 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -62.56 -37.65 86.99 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.36 -0.838 . . . . 1.0 108.926 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 616' ' ' LEU . 3.3 mp -68.51 -38.2 80.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.503 -0.748 . . . . 1.0 109.664 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -64.07 -28.4 69.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.286 -0.884 . . . . 1.0 110.026 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.49 -47.67 16.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.125 -0.984 . . . . 1.0 108.727 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.692 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.28 -34.06 88.93 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.426 -1.47 . . . . 1.0 109.426 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 564' ' ' LEU . 77.2 t -72.19 -49.73 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.177 -1.19 . . . . 1.0 108.674 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 26.5 t -66.17 -40.48 90.53 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0 109.084 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 65.9 m -63.24 -42.51 99.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.495 -0.753 . . . . 1.0 110.28 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 567' ' ' GLY . 41.1 p -68.2 -37.7 81.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.15 -0.969 . . . . 1.0 109.663 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.419 HG13 ' OG ' ' A' ' 681' ' ' SER . 42.7 t -70.21 -40.76 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.862 . . . . 1.0 109.144 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.94 84.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.281 -0.887 . . . . 1.0 109.088 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . 0.77 ' NE2' HD11 ' A' ' 578' ' ' LEU . 36.3 t60 -58.9 -51.76 68.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.417 -0.802 . . . . 1.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.48 -45.7 84.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.084 -1.01 . . . . 1.0 109.657 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.65 -29.61 70.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 1.0 109.487 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.2 -35.43 71.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.171 -0.956 . . . . 1.0 109.306 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.77 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.73 -35.24 79.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 1.0 109.744 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 582' ' ' ALA . 62.0 t -56.24 -40.33 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.094 -1.004 . . . . 1.0 109.645 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -57.95 -38.36 88.66 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.74 -1.344 . . . . 1.0 109.74 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 47.1 p -96.05 10.61 36.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.15 -1.206 . . . . 1.0 109.604 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 579' ' ' VAL . . . -138.02 158.96 43.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 1.0 109.62 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 582' ' ' ALA . 10.5 p 56.08 104.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.873 . . . . 1.0 109.444 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -69.6 166.28 49.11 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.518 -1.433 . . . . 1.0 109.518 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -28.95 84.3 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.758 2.305 . . . . 1.0 112.115 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 143.57 173.4 15.07 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.522 -1.431 . . . . 1.0 109.522 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 82.44 -161.18 40.64 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -99.5 139.94 34.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -1.17 . . . . 1.0 109.439 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -163.15 109.01 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 1.0 109.421 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 46.8 m -63.57 -35.43 80.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.925 . . . . 1.0 109.403 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 25.2 m -54.82 -39.43 68.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 1.0 109.537 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 23.1 t -102.34 138.23 39.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 1.0 109.549 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.3 156.06 66.3 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.224 -0.923 . . . . 1.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.48 -15.97 38.46 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.712 2.274 . . . . 1.0 112.216 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -123.66 -147.98 0.39 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.152 -0.968 . . . . 1.0 109.474 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -126.77 78.99 72.71 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.16 -0.963 . . . . 1.0 110.111 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.419 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 17.0 Cg_exo -55.55 -43.27 59.56 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 121.963 1.776 . . . . 1.0 113.689 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 91.7 Cg_endo -83.95 65.84 7.16 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 121.827 1.685 . . . . 1.0 112.002 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.1 t -67.48 -33.53 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 1.0 109.589 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -57.29 -43.44 83.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.275 -0.89 . . . . 1.0 108.991 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -60.32 -42.85 96.46 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.422 -0.799 . . . . 1.0 109.264 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.81 -41.71 43.32 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.382 -0.824 . . . . 1.0 109.421 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -59.86 -39.73 86.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.317 -0.864 . . . . 1.0 109.701 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.25 -33.15 69.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.223 -0.923 . . . . 1.0 109.769 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -67.44 -47.33 70.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 1.0 110.08 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.462 HG21 ' HA3' ' A' ' 657' ' ' GLY . 9.7 p -69.5 -36.06 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.972 -1.08 . . . . 1.0 109.723 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.88 77.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.16 -0.962 . . . . 1.0 109.957 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.6 -50.71 41.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 1.0 110.103 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.566 HG23 ' OG1' ' A' ' 571' ' ' THR . 1.2 p -60.2 -41.13 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 1.0 109.382 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 609' ' ' VAL . 9.0 m80 -61.23 -38.08 85.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 1.0 109.39 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -72.42 -43.65 44.74 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.591 -1.404 . . . . 1.0 109.591 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.89 -42.42 73.44 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.074 -1.251 . . . . 1.0 109.307 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.809 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.6 p -67.01 -45.38 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.231 -0.918 . . . . 1.0 109.001 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.579 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 51.5 t-80 -53.79 -30.76 46.23 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 1.0 108.693 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -27.05 64.45 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.641 -0.874 . . . . 1.0 108.641 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.9 tt -70.56 -33.01 70.64 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.597 -1.26 . . . . 1.0 107.597 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.9 OUTLIER -77.08 -37.82 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -72.16 -50.63 26.21 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.156 -0.965 . . . . 1.0 109.796 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.732 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -65.45 -39.69 92.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 1.0 109.297 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.732 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -65.47 -39.42 91.96 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.572 -1.27 . . . . 1.0 107.572 178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -35.87 78.68 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.3 t -59.42 -38.82 81.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 108.998 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.339 -0.851 . . . . 1.0 110.112 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 627' ' ' ALA . 77.3 t -65.74 -39.27 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.354 -0.841 . . . . 1.0 109.969 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 48.5 m -60.74 156.57 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.909 -1.119 . . . . 1.0 109.184 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 626' ' ' SER . 0.0 OUTLIER 56.92 16.37 2.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.524 -0.735 . . . . 1.0 109.769 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 624' ' ' VAL . . . -70.72 -81.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 1.0 109.268 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 11.9 p -129.17 162.8 26.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 1.0 109.567 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -90.64 -85.55 0.22 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 1.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 48.1 p -117.89 11.76 13.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.246 -0.909 . . . . 1.0 109.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 18.0 t -57.52 -34.45 69.12 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.224 -0.923 . . . . 1.0 109.424 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 51.95 45.59 28.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.204 -0.935 . . . . 1.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -64.21 151.18 44.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.214 -0.929 . . . . 1.0 109.417 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 44.1 p -64.28 -27.69 69.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 1.0 109.479 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.583 HD22 ' OD1' ' A' ' 698' ' ' ASN . 11.8 mt -57.83 -45.63 85.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 1.0 109.566 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -63.84 -42.92 97.49 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.32 76.94 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 108.745 -0.835 . . . . 1.0 108.745 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -47.05 79.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.427 -0.796 . . . . 1.0 109.554 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 22.3 tp -65.03 -46.88 79.47 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.246 -0.909 . . . . 1.0 109.605 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 94.9 p -63.74 -36.09 82.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.23 -0.919 . . . . 1.0 109.876 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -59.56 -47.45 85.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.272 -0.893 . . . . 1.0 109.56 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.635 ' NE2' ' CE2' ' A' ' 694' ' ' PHE . 90.5 mt-30 -71.88 -41.6 67.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.295 -0.878 . . . . 1.0 110.014 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 643' ' ' LEU . 3.3 tt -54.14 -48.27 71.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.259 -0.901 . . . . 1.0 109.816 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -60.04 -32.2 70.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.961 . . . . 1.0 108.901 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttmt -62.46 -36.85 83.75 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.941 -1.133 . . . . 1.0 107.941 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.49 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 44.8 mmm -69.83 -38.27 76.47 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.478 ' OE2' HD23 ' A' ' 617' ' ' LEU . 62.6 mm-40 -60.74 -50.14 74.67 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.739 -0.837 . . . . 1.0 108.739 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.69 -42.44 86.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.766 -0.584 . . . . 1.0 109.812 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 645' ' ' LYS . 74.7 t -70.06 -40.03 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.389 -0.819 . . . . 1.0 110.068 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.934 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.2 m-85 -58.17 -41.59 84.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.028 -1.045 . . . . 1.0 109.716 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.72 -32.05 72.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.094 -1.004 . . . . 1.0 109.332 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 59.4 m -57.8 -41.91 83.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.25 -38.67 85.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.344 -0.848 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.87 -43.73 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.075 -1.016 . . . . 1.0 109.195 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.44 -47.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -38.34 78.22 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.462 ' HA3' HG21 ' A' ' 606' ' ' VAL . . . -73.5 -47.24 22.46 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.429 -1.468 . . . . 1.0 109.429 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -57.0 -37.41 71.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.165 -1.197 . . . . 1.0 109.64 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.35 -31.35 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 1.0 109.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.555 ' O ' ' CE2' ' A' ' 669' ' ' PHE . 5.4 tt -55.78 -31.75 62.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 1.0 109.373 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -65.71 120.51 13.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 82.0 p -95.19 161.75 13.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.183 -0.948 . . . . 1.0 109.521 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -144.82 -169.65 13.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.45 -1.46 . . . . 1.0 109.45 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -54.74 -38.8 67.58 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.259 -1.142 . . . . 1.0 109.444 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -90.73 -175.18 44.35 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.621 -1.392 . . . . 1.0 109.621 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -139.3 71.73 0.44 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.597 -1.401 . . . . 1.0 109.597 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -53.13 -28.44 41.35 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.049 2.499 . . . . 1.0 112.49 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 141.86 99.47 0.35 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.489 -1.444 . . . . 1.0 109.489 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 660' ' ' LEU . 0.9 OUTLIER -170.59 109.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -1.167 . . . . 1.0 109.452 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.2 p -136.04 -178.07 4.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -1.0 . . . . 1.0 110.12 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . 0.812 ' H ' HD23 ' A' ' 671' ' ' LEU . 0.1 OUTLIER -55.26 -24.11 26.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 1.0 109.783 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -62.42 -47.79 82.54 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.225 -0.922 . . . . 1.0 109.128 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.59 -34.17 66.92 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.327 -0.858 . . . . 1.0 109.394 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.6 -39.45 88.18 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.139 -0.976 . . . . 1.0 109.392 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.67 -35.92 77.44 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.276 -1.379 . . . . 1.0 107.276 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -74.33 -38.51 63.26 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 677' ' ' LEU . 2.9 tm? -69.12 -49.86 53.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.94 -1.1 . . . . 1.0 108.476 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.407 ' N ' HD13 ' A' ' 677' ' ' LEU . 53.9 t -55.56 -30.88 27.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 107.962 -1.125 . . . . 1.0 107.962 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.31 -45.7 65.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.533 -0.729 . . . . 1.0 109.16 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 56.6 m -63.56 -40.44 97.01 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.151 -0.968 . . . . 1.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.595 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 8.4 t -57.35 -33.24 67.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.34 -0.85 . . . . 1.0 111.297 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -28.26 60.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.287 -1.508 . . . . 1.0 110.128 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.61 -39.07 74.0 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 1.0 111.242 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -60.91 -53.07 67.64 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.019 -1.051 . . . . 1.0 111.991 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.595 ' CD ' ' O ' ' A' ' 681' ' ' SER . 20.1 Cg_endo -61.78 -42.9 28.79 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.95 1.766 . . . . 1.0 112.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.86 -43.09 80.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.132 -0.98 . . . . 1.0 108.624 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . 0.476 ' OD2' ' SD ' ' A' ' 646' ' ' MET . 51.4 t0 -72.3 -34.8 68.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 1.0 109.641 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.47 93.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.125 -0.984 . . . . 1.0 108.728 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -66.89 -41.48 87.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.559 -0.713 . . . . 1.0 109.383 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -66.76 -43.3 84.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.269 -0.894 . . . . 1.0 108.822 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.04 -33.21 68.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -66.85 -32.11 73.16 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 29.0 m -67.23 -42.19 84.44 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -0.829 . . . . 1.0 109.311 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 642' ' ' GLN . 3.0 m-85 -65.1 -37.8 88.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 1.0 108.852 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 699' ' ' ALA . 12.4 mt -64.02 -36.44 84.01 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.201 -0.937 . . . . 1.0 108.539 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -68.86 -48.64 62.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.564 -0.71 . . . . 1.0 110.189 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -57.17 -25.43 54.14 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.898 -1.281 . . . . 1.0 109.898 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.583 ' OD1' HD22 ' A' ' 635' ' ' LEU . 0.4 OUTLIER -118.1 2.21 12.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -1.186 . . . . 1.0 109.502 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -53.53 -36.07 61.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 1.0 109.756 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 90.4 p -50.92 -35.92 35.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.112 -0.992 . . . . 1.0 109.772 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.2 mp -87.23 -43.12 12.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.077 -1.014 . . . . 1.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.14 -36.45 40.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.951 -1.093 . . . . 1.0 108.93 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.3 m-85 -118.32 -70.8 0.77 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 32.5 ttt180 72.95 101.93 0.07 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.651 -0.656 . . . . 1.0 109.454 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -72.3 148.87 44.97 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.347 -0.846 . . . . 1.0 109.257 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.12 112.65 11.31 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 1.0 109.471 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 708' ' ' ALA . 47.5 mttp 46.22 -156.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 1.0 109.454 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 707' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.047 -0.978 . . . . 1.0 109.444 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.456 2.542 . . . . 1.0 119.456 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 29.5 t -140.75 149.32 41.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.139 -1.213 . . . . 1.0 109.554 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 151.01 53.54 0.01 OUTLIER Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -57.79 -32.21 67.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -1.163 . . . . 1.0 109.419 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -128.31 80.16 72.82 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.136 -0.977 . . . . 1.0 110.244 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -62.49 159.2 37.27 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.728 2.285 . . . . 1.0 112.61 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.696 HD22 HG11 ' A' ' 556' ' ' VAL . 39.5 mt -98.07 137.33 37.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.28 -0.887 . . . . 1.0 109.326 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -98.86 178.94 4.8 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.423 -0.798 . . . . 1.0 108.914 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 554' ' ' LEU . 6.3 mp -56.33 -41.45 76.06 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.344 -0.848 . . . . 1.0 110.465 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.65 -44.88 96.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.115 -0.99 . . . . 1.0 110.702 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.696 HG11 HD22 ' A' ' 552' ' ' LEU . 99.6 t -65.73 -45.47 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 120.787 -1.196 . . . . 1.0 107.955 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.409 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -63.93 -40.66 96.97 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.576 -0.702 . . . . 1.0 109.32 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.44 -43.71 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 1.0 109.239 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.56 -48.69 46.8 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.181 -0.949 . . . . 1.0 109.354 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . . . . . . . . . 18.8 m -59.98 -42.69 94.73 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.062 -1.024 . . . . 1.0 110.336 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 561' ' ' LEU . 7.7 tt -58.67 -48.37 81.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.957 -1.089 . . . . 1.0 109.985 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.6 83.75 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 1.0 110.638 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -61.44 -40.72 95.48 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.855 -1.153 . . . . 1.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 615' ' ' GLU . 3.9 mp -72.05 -37.66 69.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.075 -1.016 . . . . 1.0 109.302 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.402 HE21 HD11 ' A' ' 616' ' ' LEU . 3.1 mm-40 -60.9 -30.27 70.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.428 -0.795 . . . . 1.0 110.808 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -77.53 -41.44 39.17 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.865 -1.147 . . . . 1.0 109.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.766 ' O ' HG23 ' A' ' 571' ' ' THR . . . -58.77 -33.4 72.79 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 109.167 -1.573 . . . . 1.0 109.167 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 572' ' ' VAL . 92.5 t -70.07 -48.58 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.101 -1.235 . . . . 1.0 108.726 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.5 p -66.02 -42.89 89.07 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.368 -0.833 . . . . 1.0 109.028 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.1 m -62.27 -42.48 99.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.445 -0.784 . . . . 1.0 110.207 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 567' ' ' GLY . 51.6 p -68.04 -33.28 74.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.074 -1.016 . . . . 1.0 109.75 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.751 HG13 ' OG ' ' A' ' 681' ' ' SER . 68.8 t -66.1 -38.53 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.162 -0.962 . . . . 1.0 109.247 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.53 91.82 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.164 -0.96 . . . . 1.0 108.467 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -58.81 -50.66 73.13 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.703 -0.623 . . . . 1.0 109.594 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 575' ' ' LEU . 6.7 tt -57.89 -48.97 78.29 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.432 -0.792 . . . . 1.0 109.663 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.79 -41.02 72.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.372 -0.83 . . . . 1.0 109.62 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.71 -41.6 95.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 1.0 109.524 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.07 -42.7 84.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 1.0 109.665 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 66.5 t -67.55 -35.56 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 1.0 109.491 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -51.3 -29.74 23.39 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 84.5 p -63.06 -21.86 66.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.286 -1.126 . . . . 1.0 109.438 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -60.6 -36.16 77.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.26 -0.9 . . . . 1.0 109.479 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 580' ' ' GLY . 84.4 p -146.08 159.5 43.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 1.0 109.516 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -110.51 165.32 12.23 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.566 -1.414 . . . . 1.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -63.16 -23.59 73.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.826 2.351 . . . . 1.0 112.171 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -69.06 146.19 44.23 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.614 -1.394 . . . . 1.0 109.614 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -83.37 9.46 61.36 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.528 -1.429 . . . . 1.0 109.528 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . 0.522 ' CE2' ' O ' ' A' ' 589' ' ' ARG . 0.3 OUTLIER -65.89 144.1 57.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -1.156 . . . . 1.0 109.387 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.522 ' O ' ' CE2' ' A' ' 588' ' ' TRP . 70.3 mtm180 -108.16 140.28 41.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.269 -0.895 . . . . 1.0 109.311 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 31.0 t -108.44 143.29 37.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.247 -0.908 . . . . 1.0 109.509 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 592' ' ' SER . 8.9 t -74.74 163.27 27.88 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.137 -0.977 . . . . 1.0 109.492 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 591' ' ' THR . 1.6 m 48.63 94.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 1.0 109.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 61.2 33.15 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.249 -0.907 . . . . 1.0 109.444 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.96 -4.7 15.64 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.728 2.285 . . . . 1.0 112.208 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 45.84 -115.11 0.51 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.297 -0.877 . . . . 1.0 109.581 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 48.4 mt-10 52.19 50.84 8.78 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.183 -0.948 . . . . 1.0 110.245 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 29.9 Cg_endo -66.51 163.57 32.05 Favored 'Trans proline' 0 N--CA 1.5 1.853 0 C-N-CA 122.379 2.053 . . . . 1.0 111.909 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -50.66 128.37 23.72 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.45 2.1 . . . . 1.0 112.124 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.02 -34.53 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 1.0 109.665 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -58.76 -44.7 90.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.189 -0.944 . . . . 1.0 109.459 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.25 -45.72 92.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.316 -0.865 . . . . 1.0 109.121 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 602' ' ' LEU . 0.1 OUTLIER -74.16 -43.25 58.08 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.416 -0.803 . . . . 1.0 109.008 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . 0.437 ' NZ ' ' OD2' ' A' ' 661' ' ' ASP . 72.8 tttt -61.1 -38.53 86.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.384 -0.823 . . . . 1.0 109.443 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -38.76 76.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 1.0 109.843 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.19 80.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.0 110.258 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.52 HG22 ' CD2' ' A' ' 610' ' ' HIS . 8.0 p -70.09 -36.49 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 1.0 109.843 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -65.96 -33.57 76.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.157 -0.965 . . . . 1.0 109.742 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.46 -51.4 43.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.172 -0.955 . . . . 1.0 110.342 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.436 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.7 OUTLIER -59.53 -38.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 1.0 109.713 -179.139 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 6.4 m-70 -65.45 -30.08 70.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 1.0 109.133 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -75.55 -46.01 16.24 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 110.078 -1.209 . . . . 1.0 110.078 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.67 74.33 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.951 -1.323 . . . . 1.0 109.554 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.726 HG22 ' CE2' ' A' ' 650' ' ' TYR . 3.0 p -63.93 -43.58 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.939 . . . . 1.0 109.189 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.551 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 13.7 m80 -55.33 -30.39 60.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.926 . . . . 1.0 108.933 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 564' ' ' LEU . 73.5 mm-40 -63.91 -33.62 76.12 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.918 -1.142 . . . . 1.0 107.918 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.402 HD11 HE21 ' A' ' 565' ' ' GLN . 0.8 OUTLIER -70.79 -41.36 71.73 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.224 -1.028 . . . . 1.0 108.224 179.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.782 HD21 ' CD ' ' A' ' 647' ' ' GLU . 28.7 tp -76.99 -37.91 54.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.933 -0.479 . . . . 1.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.12 -46.57 56.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.88 -1.137 . . . . 1.0 111.706 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.3 OUTLIER -65.25 -45.3 85.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.481 -1.387 . . . . 1.0 108.959 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.669 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.305 -0.872 . . . . 1.0 109.814 178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -63.19 -35.86 81.72 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.57 -1.331 . . . . 1.0 108.362 178.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 29.3 p -60.09 -33.41 72.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.693 -1.225 . . . . 1.0 107.693 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 620' ' ' ALA . . . -63.86 -36.55 84.28 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.168 -0.679 . . . . 1.0 109.168 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.73 -41.76 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 17.9 t -58.77 -40.09 82.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.0 109.628 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 50.8 m -62.56 -33.42 74.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.574 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.415 ' HB2' HD23 ' A' ' 702' ' ' LEU . . . -53.29 143.89 17.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.246 -0.909 . . . . 1.0 109.555 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 64.6 m -100.48 143.74 30.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 1.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -74.82 137.75 42.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 1.0 109.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 631' ' ' SER . 0.5 OUTLIER -140.15 -80.43 0.28 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 1.0 109.371 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.499 ' N ' ' OG1' ' A' ' 630' ' ' THR . 2.9 t -144.6 45.95 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 1.0 109.43 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 52.2 50.38 18.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.87 . . . . 1.0 109.473 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 37.3 mmm-85 -47.61 152.89 0.62 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 1.0 109.55 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 73.1 p -60.7 -37.99 83.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 1.0 109.84 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.786 ' H ' HD23 ' A' ' 635' ' ' LEU . 0.1 OUTLIER -59.44 -49.38 78.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.875 . . . . 1.0 109.649 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 640' ' ' SER . 39.2 t-80 -59.26 -38.18 79.44 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.901 ' HB1' HH21 ' A' ' 641' ' ' ARG . . . -66.11 -51.29 59.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 108.431 -0.951 . . . . 1.0 108.431 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -60.5 -39.57 88.21 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.507 -0.745 . . . . 1.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 639' ' ' LEU . 1.8 tt -79.04 -46.21 18.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 1.0 109.649 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 636' ' ' HIS . 66.3 m -58.9 -46.46 87.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 1.0 109.796 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . 0.901 HH21 ' HB1' ' A' ' 637' ' ' ALA . 19.5 ptp180 -64.37 -41.67 96.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.282 -0.886 . . . . 1.0 110.378 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.501 ' OE1' ' CD2' ' A' ' 694' ' ' PHE . 61.1 tt0 -73.97 -30.43 62.5 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.057 -1.027 . . . . 1.0 109.981 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.4 tp -69.01 -50.62 47.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.374 -0.829 . . . . 1.0 110.25 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.48 -38.31 90.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.205 -0.934 . . . . 1.0 109.276 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.97 -36.23 83.73 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.91 -1.145 . . . . 1.0 107.91 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.757 ' SD ' HD12 ' A' ' 691' ' ' LEU . 2.2 ttm -68.11 -38.78 82.64 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.397 -0.964 . . . . 1.0 108.397 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.782 ' CD ' HD21 ' A' ' 617' ' ' LEU . 61.9 mm-40 -60.88 -51.44 69.27 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.718 0.77 . . . . 1.0 109.064 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -57.73 -39.83 78.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.586 -0.696 . . . . 1.0 109.646 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 645' ' ' LYS . 78.0 t -71.61 -42.97 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.42 -0.8 . . . . 1.0 110.33 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.726 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.1 m-85 -58.22 -41.74 84.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.93 -1.106 . . . . 1.0 109.943 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.08 -32.7 70.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 1.0 109.104 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 71.2 m -58.6 -42.04 87.22 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.384 -0.822 . . . . 1.0 109.238 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.603 HD22 ' SG ' ' A' ' 680' ' ' CYS . 63.3 mt -66.52 -35.8 81.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.383 -0.823 . . . . 1.0 109.546 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 658' ' ' GLN . 91.6 t -60.61 -43.82 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.228 -0.92 . . . . 1.0 109.385 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.81 -46.1 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 1.0 108.474 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.58 -38.5 87.77 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 107.758 -1.201 . . . . 1.0 107.758 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.42 -39.0 43.79 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.324 -1.51 . . . . 1.0 109.324 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.5 mm-40 -54.49 -27.01 34.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -1.198 . . . . 1.0 109.615 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 65.1 t -62.16 -38.83 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 1.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.464 HD11 HD12 ' A' ' 677' ' ' LEU . 9.6 mt -71.32 70.8 0.61 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.31 -0.868 . . . . 1.0 108.989 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 662' ' ' SER . 55.4 t0 -170.4 -129.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.555 -0.716 . . . . 1.0 109.477 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' A' ' 661' ' ' ASP . 60.7 p -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.15 -0.969 . . . . 1.0 109.58 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 146.03 122.12 1.42 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.544 -1.422 . . . . 1.0 109.544 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -135.9 136.77 40.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.231 -1.159 . . . . 1.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 153.15 -82.0 0.17 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.558 -1.417 . . . . 1.0 109.558 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -88.51 -173.76 47.14 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.473 -1.451 . . . . 1.0 109.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.72 -18.47 15.97 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 123.066 2.51 . . . . 1.0 112.209 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 82.86 -107.26 2.85 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.58 -1.408 . . . . 1.0 109.58 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 13.8 p90 -135.41 163.58 29.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -1.128 . . . . 1.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 672' ' ' ASP . 9.5 t -145.29 -173.27 4.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.333 -0.854 . . . . 1.0 109.463 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.08 -25.22 20.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 1.0 109.327 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . 0.867 ' H ' HG23 ' A' ' 670' ' ' THR . 55.2 t0 -68.15 -45.55 73.24 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.249 -0.907 . . . . 1.0 109.264 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -56.7 -36.64 69.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.924 . . . . 1.0 109.417 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 14.6 mt -65.74 -35.38 80.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 1.0 109.043 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -59.66 -37.86 79.9 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -70.74 -39.2 73.46 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.135 -0.691 . . . . 1.0 109.135 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.7 tt -70.52 -48.14 57.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.119 -0.988 . . . . 1.0 108.494 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.9 t -56.04 -31.69 31.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.617 -1.253 . . . . 1.0 107.617 178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.86 79.92 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.603 ' SG ' HD22 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -63.29 -41.45 98.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.572 -0.705 . . . . 1.0 109.455 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.751 ' OG ' HG13 ' A' ' 572' ' ' VAL . 12.9 t -57.05 -33.89 67.69 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.392 -0.818 . . . . 1.0 111.244 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -76.75 -30.86 56.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.346 -1.471 . . . . 1.0 109.888 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.37 67.66 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.123 -0.986 . . . . 1.0 111.492 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.453 HG23 HD11 ' A' ' 653' ' ' LEU . 1.0 OUTLIER -61.83 -49.29 86.56 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 120.838 -1.164 . . . . 1.0 112.208 -176.357 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.646 ' HG3' HG21 ' A' ' 572' ' ' VAL . 16.9 Cg_exo -63.12 -43.38 19.21 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 121.887 1.725 . . . . 1.0 112.205 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.52 -41.52 84.24 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.188 -0.945 . . . . 1.0 108.665 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -74.95 -38.7 61.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.584 -0.698 . . . . 1.0 109.858 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.92 99.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.132 -0.98 . . . . 1.0 108.822 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.77 -36.03 82.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.445 -0.784 . . . . 1.0 109.067 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -64.38 -44.31 91.77 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.331 -0.856 . . . . 1.0 109.01 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.757 HD12 ' SD ' ' A' ' 646' ' ' MET . 1.4 tt -61.39 -35.96 78.94 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 561' ' ' LEU . . . -57.66 -35.87 71.14 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.287 -0.883 . . . . 1.0 108.875 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 67.8 p -70.03 -38.35 75.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.347 -0.846 . . . . 1.0 109.617 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.501 ' CD2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.48 -39.46 91.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.038 -1.039 . . . . 1.0 108.703 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.599 ' O ' ' N ' ' A' ' 699' ' ' ALA . 0.9 OUTLIER -63.4 -36.33 83.36 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.353 -0.842 . . . . 1.0 108.766 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -70.78 -50.11 39.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.406 -0.809 . . . . 1.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -59.52 -24.04 59.0 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.213 -1.555 . . . . 1.0 109.213 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -113.44 -2.22 13.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -1.033 . . . . 1.0 109.549 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.28 -39.18 56.22 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.179 -0.951 . . . . 1.0 109.587 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 704' ' ' ARG . 85.6 p -51.6 -37.52 50.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.261 -0.899 . . . . 1.0 109.314 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.23 -41.9 13.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.137 -0.977 . . . . 1.0 110.474 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 639' ' ' LEU . 49.9 mt -56.79 -32.77 66.01 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.732 -1.23 . . . . 1.0 108.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.409 ' CZ ' ' CB ' ' A' ' 557' ' ' ALA . 8.7 m-85 -120.84 -79.91 0.61 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.447 -0.783 . . . . 1.0 109.519 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 700' ' ' SER . 58.2 ttm-85 -172.33 -100.32 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.775 -1.203 . . . . 1.0 110.022 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . 0.435 ' HD3' ' H ' ' A' ' 708' ' ' ALA . 0.0 OUTLIER -161.42 -62.75 0.05 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.05 -1.031 . . . . 1.0 109.551 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 44.1 p 46.48 39.21 6.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.299 -0.876 . . . . 1.0 109.453 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 60.2 tttm 51.86 60.48 3.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.184 -0.948 . . . . 1.0 109.508 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . 0.435 ' H ' ' HD3' ' A' ' 705' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.986 -1.007 . . . . 1.0 109.455 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.831 0 N-CA-C 119.439 2.536 . . . . 1.0 119.439 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 19.6 m -58.32 -35.42 71.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -1.124 . . . . 1.0 109.438 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 550' ' ' GLU . . . 90.45 -63.71 2.98 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 61.1 -72.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -1.14 . . . . 1.0 109.565 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 548' ' ' GLY . 1.1 tt0 52.17 91.01 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.153 -0.967 . . . . 1.0 109.408 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.9 -165.29 0.32 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.977 1.784 . . . . 1.0 112.247 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 58.1 mt -101.58 141.76 33.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.266 -0.896 . . . . 1.0 109.459 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -93.19 172.64 8.17 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.525 HD13 ' HB1' ' A' ' 699' ' ' ALA . 22.7 tp -58.15 -42.19 85.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.571 -0.706 . . . . 1.0 109.61 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 559' ' ' GLU . 84.5 tt0 -64.8 -47.27 78.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.384 -0.823 . . . . 1.0 109.666 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.96 -45.32 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.451 ' CB ' ' CE1' ' A' ' 703' ' ' PHE . . . -57.22 -36.48 70.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.705 -0.622 . . . . 1.0 109.335 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -44.67 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.952 -1.093 . . . . 1.0 109.319 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 555' ' ' GLU . 70.3 mm-40 -68.18 -51.04 50.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.23 -0.919 . . . . 1.0 109.48 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.541 ' CG2' ' N ' ' A' ' 561' ' ' LEU . 2.0 t -59.7 -45.29 92.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.223 -0.923 . . . . 1.0 109.803 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 560' ' ' THR . 7.9 tp -65.98 -35.31 80.24 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.061 -1.024 . . . . 1.0 108.809 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.15 89.75 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.462 -0.774 . . . . 1.0 109.098 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -59.26 -31.35 69.02 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.267 -0.895 . . . . 1.0 109.176 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 568' ' ' VAL . 9.4 mp -76.06 -37.91 57.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.362 -0.837 . . . . 1.0 109.663 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.531 HE21 ' HB2' ' A' ' 692' ' ' ALA . 95.3 mt-30 -58.5 -36.68 74.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 1.0 109.457 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 567' ' ' GLY . 8.9 pt20 -79.98 -46.46 16.63 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.327 -0.858 . . . . 1.0 108.796 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.829 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.68 -34.01 88.79 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 564' ' ' LEU . 71.8 t -71.78 -48.49 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -1.222 . . . . 1.0 108.963 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 22.9 t -66.97 -38.81 86.77 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 1.0 108.721 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 99.7 m -61.82 -43.21 99.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.62 -0.675 . . . . 1.0 109.98 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 567' ' ' GLY . 82.8 p -67.63 -31.73 71.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.169 -0.957 . . . . 1.0 110.167 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.1 t -64.22 -37.93 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.941 -1.099 . . . . 1.0 109.368 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -62.89 -40.67 98.25 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.072 -1.084 . . . . 1.0 108.072 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.15 -51.36 69.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.62 -0.675 . . . . 1.0 109.409 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 8.1 tp -56.48 -46.16 80.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.59 -0.693 . . . . 1.0 109.302 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 572' ' ' VAL . 11.3 mt -69.35 -34.73 75.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.636 -0.665 . . . . 1.0 109.605 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 573' ' ' ALA . 23.1 t70 -64.71 -36.72 85.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.23 -0.919 . . . . 1.0 108.954 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 6.5 tp -66.74 -36.96 83.68 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.479 -0.763 . . . . 1.0 109.445 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.83 -38.97 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.137 -0.977 . . . . 1.0 109.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -53.7 -36.76 55.47 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.0 109.595 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 583' ' ' SER . 83.7 p -64.92 -24.79 67.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -1.197 . . . . 1.0 109.515 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . 51.83 -91.44 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.0 109.53 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 581' ' ' SER . 30.8 t -131.04 143.14 50.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.172 -0.955 . . . . 1.0 109.459 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -129.5 167.07 21.54 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.525 -1.43 . . . . 1.0 109.525 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -62.03 143.57 95.19 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.778 2.319 . . . . 1.0 112.134 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 162.5 116.14 0.37 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 85.07 -177.11 50.74 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.559 -1.417 . . . . 1.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . 0.488 ' O ' ' O ' ' A' ' 591' ' ' THR . 92.3 m95 -109.21 142.03 40.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.314 -1.109 . . . . 1.0 109.623 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -69.4 -35.02 75.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 1.0 109.454 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.7 m -64.26 -47.59 79.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 1.0 109.463 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 588' ' ' TRP . 16.1 p -133.69 162.95 30.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 1.0 109.464 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 3.6 t 59.76 -148.93 0.45 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.345 -0.847 . . . . 1.0 109.553 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 54.17 69.04 2.34 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.2 -0.937 . . . . 1.0 110.078 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -53.06 158.49 6.67 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.943 1.762 . . . . 1.0 112.036 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 596' ' ' GLU . 91.6 mt-30 -55.5 138.83 45.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.896 . . . . 1.0 109.368 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.515 ' O ' ' O ' ' A' ' 595' ' ' GLN . 12.1 mt-10 56.17 155.74 0.07 OUTLIER Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.194 -0.941 . . . . 1.0 109.564 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -55.49 165.98 2.92 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.815 2.344 . . . . 1.0 111.648 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.02 128.4 2.09 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.483 2.122 . . . . 1.0 112.049 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 82.7 t -64.29 -34.53 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 1.0 109.688 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.83 -41.95 78.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.173 -0.954 . . . . 1.0 109.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -62.2 -39.12 91.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.271 -0.893 . . . . 1.0 109.293 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 36.6 tp -70.15 -41.86 73.29 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.439 -0.788 . . . . 1.0 109.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -58.96 -34.64 72.01 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.461 -0.774 . . . . 1.0 109.696 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.08 73.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.376 -0.828 . . . . 1.0 109.918 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.45 -48.02 65.62 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.133 -0.979 . . . . 1.0 110.172 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.624 HG22 ' CD2' ' A' ' 610' ' ' HIS . 12.7 p -70.06 -36.95 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.025 -1.047 . . . . 1.0 109.677 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -66.5 -31.32 71.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.171 -0.956 . . . . 1.0 109.554 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.36 -52.24 35.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.199 -0.938 . . . . 1.0 110.033 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.614 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.89 -42.74 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.14 -0.975 . . . . 1.0 109.753 -179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.673 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 5.0 m-70 -64.83 -39.99 94.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.009 -1.057 . . . . 1.0 109.241 178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.01 -41.54 96.47 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.545 -1.022 . . . . 1.0 110.545 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.34 71.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.819 -1.401 . . . . 1.0 108.776 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 650' ' ' TYR . 99.1 t -64.52 -47.35 89.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.002 -1.11 . . . . 1.0 108.002 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -53.8 -34.93 60.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.42 -0.8 . . . . 1.0 108.898 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -61.5 -32.63 72.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.884 -1.135 . . . . 1.0 108.307 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -42.86 71.19 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.916 -0.772 . . . . 1.0 108.916 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -40.91 95.25 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.125 -0.984 . . . . 1.0 108.987 177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.06 -45.33 50.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.447 -0.783 . . . . 1.0 109.865 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -62.13 -46.68 87.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.111 -0.993 . . . . 1.0 108.857 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.61 85.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.438 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.9 -42.9 89.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.661 -0.65 . . . . 1.0 109.527 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.5 t -58.15 -43.87 87.59 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 1.0 109.329 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.89 73.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 1.0 109.408 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 85.9 t -66.19 -42.98 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 1.0 109.641 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.8 m -64.29 -29.23 70.32 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.94 . . . . 1.0 109.673 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 70.3 m -73.46 9.53 1.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 1.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -84.78 58.9 5.22 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.247 -0.908 . . . . 1.0 109.431 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 86.4 m -55.31 -41.56 72.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 1.0 109.562 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -115.63 116.78 28.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.311 -0.868 . . . . 1.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 121.27 13.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.923 . . . . 1.0 109.456 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 632' ' ' ASP . 24.9 p -83.96 7.27 18.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 1.0 109.374 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 631' ' ' SER . 0.7 OUTLIER 73.58 41.07 0.46 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 1.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . 0.445 ' CD ' HD22 ' A' ' 701' ' ' LEU . 69.8 mtp85 -64.86 154.45 37.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.262 -0.899 . . . . 1.0 109.325 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 60.2 m -61.07 -26.2 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 1.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.34 -45.1 88.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.0 109.293 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -64.19 -44.61 91.47 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.22 -46.95 75.94 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.619 -0.882 . . . . 1.0 108.619 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -44.66 79.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.52 -0.737 . . . . 1.0 109.457 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.55 -46.4 89.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.192 -0.943 . . . . 1.0 109.526 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.8 t -61.52 -37.35 83.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.245 -0.909 . . . . 1.0 109.78 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -59.86 -46.43 89.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.295 -0.878 . . . . 1.0 110.63 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.53 HE22 ' HB2' ' A' ' 694' ' ' PHE . 7.7 pt20 -71.22 -26.45 62.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.925 -1.109 . . . . 1.0 109.889 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -45.41 43.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 1.0 110.08 -179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -64.63 -41.81 95.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 1.0 109.581 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 645' ' ' LYS . 0.0 OUTLIER -65.88 -31.12 71.87 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.185 -1.042 . . . . 1.0 108.185 -179.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.537 ' HG3' HD11 ' A' ' 691' ' ' LEU . 0.0 OUTLIER -68.42 -36.52 79.2 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.713 -0.847 . . . . 1.0 108.713 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -62.6 -50.84 69.68 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.232 -1.025 . . . . 1.0 108.232 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.01 -44.76 72.12 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.967 -0.458 . . . . 1.0 109.925 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 18.6 t -66.0 -42.65 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.288 -0.882 . . . . 1.0 110.024 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.753 ' O ' HG23 ' A' ' 654' ' ' VAL . 40.8 t80 -61.47 -34.55 75.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.384 -0.823 . . . . 1.0 110.765 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -78.19 -30.93 49.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 1.0 109.865 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.0 m -57.88 -49.04 78.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.1 -1.0 . . . . 1.0 109.321 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 650' ' ' TYR . 2.0 pp -70.58 -33.91 71.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 1.0 109.334 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 650' ' ' TYR . 84.8 t -59.85 -43.73 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.327 -0.858 . . . . 1.0 109.361 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.858 ' O ' HG23 ' A' ' 659' ' ' VAL . 73.7 t -66.03 -39.22 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 O-C-N 121.08 -1.012 . . . . 1.0 108.394 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -64.61 -38.94 92.74 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.816 -1.179 . . . . 1.0 107.816 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.76 -48.53 16.7 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.257 -1.537 . . . . 1.0 109.257 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -56.42 -25.68 51.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -1.189 . . . . 1.0 109.536 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 655' ' ' VAL . 49.9 t -63.87 -36.03 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.227 -0.921 . . . . 1.0 109.674 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.749 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.7 pp -51.59 -28.87 15.34 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.296 -0.878 . . . . 1.0 109.489 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.6 118.09 21.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 1.0 109.478 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 64.7 p -167.47 -112.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 1.0 109.435 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 94.75 1.34 63.68 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.53 -1.428 . . . . 1.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -55.91 -37.6 69.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -1.149 . . . . 1.0 109.454 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -155.16 -174.76 25.43 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.635 -1.386 . . . . 1.0 109.635 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . 0.484 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . -48.11 -53.32 15.25 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.623 -1.391 . . . . 1.0 109.623 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 71.8 Cg_exo -51.66 145.71 29.4 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.955 2.436 . . . . 1.0 112.48 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 173.99 -114.48 0.51 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.468 -1.453 . . . . 1.0 109.468 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -137.31 164.07 29.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -1.165 . . . . 1.0 109.52 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 37.6 p -135.67 -175.8 4.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.235 -0.916 . . . . 1.0 109.69 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.39 -24.2 18.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 1.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -65.93 -46.7 77.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.214 -0.929 . . . . 1.0 109.142 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.38 -37.03 72.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.4 -0.813 . . . . 1.0 109.577 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.9 -37.9 88.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.21 -0.932 . . . . 1.0 109.437 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -59.06 -35.52 73.48 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.331 -1.359 . . . . 1.0 107.331 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -71.42 -41.97 68.88 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' ' 677' ' ' LEU . 6.3 tt -70.4 -49.3 50.42 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.157 -0.964 . . . . 1.0 108.401 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' ' 674' ' ' LEU . 52.9 t -57.54 -31.52 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.058 -1.09 . . . . 1.0 108.058 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.88 -42.86 84.86 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.898 -0.779 . . . . 1.0 108.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 80.6 m -66.15 -36.43 83.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.264 -0.898 . . . . 1.0 109.359 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 15.6 t -56.71 -35.69 68.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.269 -0.894 . . . . 1.0 110.483 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -78.95 -34.97 43.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.748 -1.22 . . . . 1.0 109.878 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.28 64.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.922 . . . . 1.0 110.936 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.612 HG11 HG21 ' A' ' 613' ' ' VAL . 2.5 t -57.39 -53.89 60.68 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.004 -1.06 . . . . 1.0 112.249 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 35.0 Cg_endo -65.51 -38.81 23.95 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 121.896 1.731 . . . . 1.0 112.788 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -60.01 -41.98 93.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.004 -1.06 . . . . 1.0 108.183 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -74.73 -32.04 62.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.524 -0.735 . . . . 1.0 109.278 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.46 91.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 1.0 108.493 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -65.99 -37.2 85.33 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.51 -0.744 . . . . 1.0 109.006 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -59.42 -42.01 90.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.326 -0.858 . . . . 1.0 108.79 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 695' ' ' LEU . 79.7 mt -58.2 -34.61 70.56 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.103 -1.073 . . . . 1.0 108.103 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.531 ' HB2' HE21 ' A' ' 565' ' ' GLN . . . -61.45 -35.33 77.3 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.0 m -71.25 -45.69 62.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.318 -0.864 . . . . 1.0 109.302 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.53 ' HB2' HE22 ' A' ' 642' ' ' GLN . 2.9 m-85 -64.82 -36.83 85.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.277 -0.889 . . . . 1.0 108.796 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 691' ' ' LEU . 5.7 mp -60.72 -37.23 81.02 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.106 -1.072 . . . . 1.0 108.106 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -64.36 -47.22 80.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.567 -0.708 . . . . 1.0 109.496 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.83 -23.03 60.7 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.947 -1.661 . . . . 1.0 108.947 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.644 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.7 OUTLIER -107.5 -0.97 21.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.402 -1.058 . . . . 1.0 109.638 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 554' ' ' LEU . . . -57.91 -26.99 62.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 1.0 109.368 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 704' ' ' ARG . 27.7 t -64.99 -50.52 65.99 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.2 -0.938 . . . . 1.0 109.571 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.445 HD22 ' CD ' ' A' ' 633' ' ' ARG . 1.0 OUTLIER -103.91 -10.94 17.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.157 -0.965 . . . . 1.0 111.012 -178.059 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 698' ' ' ASN . 58.3 tp -67.23 -29.94 69.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.634 -1.292 . . . . 1.0 108.511 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.451 ' CE1' ' CB ' ' A' ' 557' ' ' ALA . 62.4 m-85 -118.06 -84.13 0.65 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -0.84 . . . . 1.0 109.531 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.484 ' O ' ' O ' ' A' ' 700' ' ' SER . 76.6 mtp180 -148.64 -106.94 0.08 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.359 -0.838 . . . . 1.0 110.075 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 706' ' ' THR . 68.9 ttt180 -167.34 66.85 0.09 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.459 -0.776 . . . . 1.0 109.453 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 705' ' ' ARG . 8.9 p 46.35 -170.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.351 -0.843 . . . . 1.0 109.499 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -59.62 -35.78 75.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.931 . . . . 1.0 109.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.085 -0.959 . . . . 1.0 109.455 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.902 0 N-CA-C 119.412 2.525 . . . . 1.0 119.412 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 42.6 m -60.57 154.61 20.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -1.154 . . . . 1.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -81.2 -179.75 53.18 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -157.77 -62.7 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -1.156 . . . . 1.0 109.508 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -132.0 78.83 68.62 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 1.0 109.477 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -86.54 146.89 8.45 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.9 2.4 . . . . 1.0 112.471 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.669 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 0.8 OUTLIER -67.66 -26.82 66.4 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.28 -0.888 . . . . 1.0 109.366 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.669 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 14.4 tp10 87.83 112.71 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.202 -0.936 . . . . 1.0 109.235 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 699' ' ' ALA . 20.6 tp -63.89 -34.31 77.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.451 -0.781 . . . . 1.0 109.721 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.1 mt-10 -65.1 -46.42 81.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 1.0 110.034 -178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.543 ' O ' ' OG1' ' A' ' 560' ' ' THR . 49.8 t -66.84 -47.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.782 -1.199 . . . . 1.0 107.847 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.62 -35.3 68.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.633 -0.667 . . . . 1.0 109.777 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.9 -43.85 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.786 -1.196 . . . . 1.0 109.389 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.4 OUTLIER -73.7 -44.73 55.69 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.243 -0.911 . . . . 1.0 109.916 -179.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.73 -47.12 86.69 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.978 -1.076 . . . . 1.0 110.42 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -71.19 -35.46 71.57 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.792 -1.193 . . . . 1.0 109.381 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.08 89.75 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 1.0 109.69 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -66.58 -34.18 77.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.074 -1.016 . . . . 1.0 108.906 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.747 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.2 mp -67.99 -42.24 81.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 1.0 108.863 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.485 ' NE2' ' CB ' ' A' ' 692' ' ' ALA . 63.2 mt-30 -60.18 -35.37 75.21 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.329 -0.857 . . . . 1.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -78.95 -46.39 18.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.653 -1.279 . . . . 1.0 108.31 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.787 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.39 -33.33 84.21 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.737 -1.745 . . . . 1.0 108.737 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 564' ' ' LEU . 68.1 t -70.06 -49.33 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.149 . . . . 1.0 108.819 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 39.6 m -66.57 -39.8 88.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.903 . . . . 1.0 108.835 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 70.3 m -62.95 -43.28 99.22 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.483 -0.761 . . . . 1.0 110.113 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 567' ' ' GLY . 73.0 p -67.35 -33.23 74.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.954 . . . . 1.0 109.674 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 568' ' ' VAL . 57.0 t -63.59 -39.18 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.261 -0.899 . . . . 1.0 108.989 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.34 83.67 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.278 -0.889 . . . . 1.0 109.467 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -57.92 -51.12 70.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.317 -0.864 . . . . 1.0 109.456 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.24 -46.07 79.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.308 -0.87 . . . . 1.0 109.452 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 576' ' ' LEU . 4.4 mm? -68.74 -35.39 77.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.201 -0.937 . . . . 1.0 108.838 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.08 -38.0 66.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -0.802 . . . . 1.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.46 -44.17 36.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.236 -0.915 . . . . 1.0 109.429 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.89 -26.27 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.89 . . . . 1.0 109.586 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.42 -40.97 47.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.604 -1.399 . . . . 1.0 109.604 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 33.6 m -61.64 -34.02 74.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -1.191 . . . . 1.0 109.575 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -61.22 149.81 36.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 1.0 109.453 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 582' ' ' ALA . 9.1 m 55.94 167.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.331 -0.856 . . . . 1.0 109.49 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 164.54 169.72 28.51 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.476 -1.45 . . . . 1.0 109.476 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.46 134.88 43.46 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.77 2.313 . . . . 1.0 112.189 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.09 48.51 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 66.7 -123.2 21.89 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 1.6 t90 49.0 -164.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -1.137 . . . . 1.0 109.484 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 46.49 69.06 0.52 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 1.0 109.454 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 29.1 t -144.79 143.09 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 1.0 109.523 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 43.6 p -99.08 -117.27 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.292 -0.88 . . . . 1.0 109.453 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 14.6 m 54.35 -177.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.281 -0.887 . . . . 1.0 109.496 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 158.04 45.41 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 1.0 109.535 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.87 -48.97 4.53 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.783 2.322 . . . . 1.0 112.164 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -129.58 143.99 51.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.905 . . . . 1.0 109.356 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.7 OUTLIER -93.35 -42.88 0.33 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 1.0 110.209 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 16.4 Cg_exo -65.57 161.8 36.95 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.502 2.135 . . . . 1.0 111.927 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.23 135.0 21.96 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.563 2.175 . . . . 1.0 112.402 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.95 -32.06 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.89 . . . . 1.0 109.448 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -56.39 -37.16 69.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 1.0 109.381 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.301 -0.874 . . . . 1.0 109.043 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.1 tt -72.22 -43.17 64.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.501 -0.75 . . . . 1.0 109.053 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -61.0 -35.49 76.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 1.0 109.504 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.89 76.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.259 -0.9 . . . . 1.0 110.04 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.31 80.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.191 -0.943 . . . . 1.0 109.956 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.16 -37.61 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.12 -0.987 . . . . 1.0 109.491 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.99 82.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 1.0 109.371 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.8 92.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.912 . . . . 1.0 109.646 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 613' ' ' VAL . 70.5 t -62.92 -43.19 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.113 -0.992 . . . . 1.0 109.325 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.588 ' ND1' ' CE1' ' A' ' 650' ' ' TYR . 18.3 m-70 -70.13 -31.17 68.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.112 -0.992 . . . . 1.0 109.567 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.83 -42.08 99.42 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.678 -1.369 . . . . 1.0 109.678 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.8 71.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.113 -1.228 . . . . 1.0 109.538 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.604 HG11 ' CE1' ' A' ' 650' ' ' TYR . 78.2 t -67.39 -46.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.081 -1.012 . . . . 1.0 108.978 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -54.6 -34.6 62.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.276 -0.89 . . . . 1.0 108.813 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.07 -34.7 78.14 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.163 -0.96 . . . . 1.0 108.722 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 616' ' ' LEU . 2.8 tt -68.72 -42.35 77.77 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.517 -0.92 . . . . 1.0 108.517 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -42.22 95.89 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.589 -0.893 . . . . 1.0 108.589 178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -73.01 -45.16 59.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.354 -0.841 . . . . 1.0 110.522 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.95 -47.53 80.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.952 -1.092 . . . . 1.0 109.384 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.77 92.31 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.328 -0.858 . . . . 1.0 109.218 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -65.43 -39.39 92.05 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.099 -1.001 . . . . 1.0 109.703 179.075 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 50.0 m -57.18 -39.16 74.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.693 -1.255 . . . . 1.0 108.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -62.57 -37.52 86.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.309 -0.869 . . . . 1.0 109.326 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.2 -42.91 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 1.0 109.527 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 30.5 m -57.96 -37.38 74.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 1.0 109.559 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 12.5 p -78.17 -4.04 45.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 1.0 109.551 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -73.33 162.57 29.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.939 . . . . 1.0 109.417 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 5.9 t -132.13 159.38 39.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.238 -0.914 . . . . 1.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.475 ' C ' ' H ' ' A' ' 631' ' ' SER . 40.1 p-80 -92.82 -157.56 0.54 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.0 109.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 629' ' ' HIS . 0.2 OUTLIER 71.25 -39.38 0.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.325 -0.859 . . . . 1.0 109.466 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 629' ' ' HIS . 16.6 m -59.54 -35.96 75.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.962 . . . . 1.0 109.439 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 52.6 t0 49.66 62.59 2.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 1.0 109.44 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -104.46 134.86 46.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.3 -0.875 . . . . 1.0 109.451 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 55.2 m -61.12 -34.93 75.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 1.0 109.519 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 697' ' ' GLY . 10.1 mt -57.14 -44.03 83.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -62.93 -44.26 96.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 1.0 108.573 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.58 -48.22 79.97 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.867 -0.79 . . . . 1.0 108.867 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -38.74 88.83 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.418 -0.801 . . . . 1.0 109.672 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 64.6 tp -58.11 -46.97 84.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.286 -0.884 . . . . 1.0 110.194 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.0 99.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.077 -1.015 . . . . 1.0 110.3 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -60.76 -46.06 91.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.09 -1.006 . . . . 1.0 110.604 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -72.75 -33.82 66.61 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.926 -1.109 . . . . 1.0 110.005 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.45 -47.07 65.18 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.206 -0.934 . . . . 1.0 110.101 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.96 -37.26 87.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 1.0 109.547 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -64.5 -34.19 77.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.545 -1.28 . . . . 1.0 107.545 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -38.94 83.03 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -62.65 -51.09 68.64 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . 0.851 ' O ' HG23 ' A' ' 652' ' ' THR . 24.1 t0 -67.55 -43.59 80.32 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.596 -0.69 . . . . 1.0 109.52 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 -40.42 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.339 -0.85 . . . . 1.0 110.135 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.604 ' CE1' HG11 ' A' ' 613' ' ' VAL . 45.6 t80 -66.52 -35.88 81.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.859 -1.151 . . . . 1.0 109.619 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -72.28 -33.03 67.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.07 -1.019 . . . . 1.0 109.46 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 648' ' ' ASP . 76.3 p -61.98 -41.27 97.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 1.0 109.121 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 680' ' ' CYS . 85.5 mt -68.71 -34.43 75.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.391 -0.818 . . . . 1.0 109.816 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.01 -42.88 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.03 -1.044 . . . . 1.0 109.427 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 659' ' ' VAL . 92.4 t -66.83 -44.35 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -61.47 -39.62 91.54 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.341 -1.355 . . . . 1.0 107.341 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.419 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -71.68 -43.96 50.22 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.464 -1.454 . . . . 1.0 109.464 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.86 -30.72 61.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.059 -1.26 . . . . 1.0 109.72 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 655' ' ' VAL . 70.2 t -63.58 -32.38 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 1.0 110.29 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.507 ' O ' ' CE1' ' A' ' 669' ' ' PHE . 4.0 tt -53.55 -30.41 41.78 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.018 -1.051 . . . . 1.0 109.648 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.9 121.68 18.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 1.0 109.546 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 58.6 p -74.45 164.75 26.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 1.0 109.486 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -144.44 -172.32 14.97 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.494 -1.443 . . . . 1.0 109.494 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 665' ' ' GLY . 9.9 ptp180 -51.55 -39.22 57.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -1.166 . . . . 1.0 109.425 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 664' ' ' ARG . . . -58.45 -21.1 47.81 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 103.77 168.99 25.37 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.419 -1.472 . . . . 1.0 109.419 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.63 137.28 80.28 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.092 2.528 . . . . 1.0 112.149 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -127.39 16.68 6.27 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.536 -1.426 . . . . 1.0 109.536 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 29.9 p90 -137.55 160.18 39.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.187 -1.184 . . . . 1.0 109.387 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p -142.07 -169.74 3.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.322 -0.861 . . . . 1.0 109.251 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.05 -25.63 22.54 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.0 109.202 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -64.51 -47.18 79.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.227 -0.921 . . . . 1.0 109.522 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -57.75 -32.87 67.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 1.0 110.048 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 674' ' ' LEU . 4.4 mm? -63.6 -39.1 93.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.075 -1.015 . . . . 1.0 109.648 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.67 -35.2 75.64 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.102 -1.444 . . . . 1.0 107.102 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -70.96 -42.66 69.47 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 109.13 -0.692 . . . . 1.0 109.13 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.419 HD21 ' HA2' ' A' ' 657' ' ' GLY . 16.8 mt -70.18 -47.35 61.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 1.0 108.777 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.58 -32.02 35.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 107.876 -1.157 . . . . 1.0 107.876 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.03 -43.69 67.37 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.605 -0.684 . . . . 1.0 109.22 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.497 ' SG ' HD22 ' A' ' 653' ' ' LEU . 79.9 m -67.09 -39.08 86.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.183 -0.948 . . . . 1.0 109.686 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.64 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 27.0 t -57.36 -35.15 69.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.236 -0.915 . . . . 1.0 110.53 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.73 -30.8 56.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.855 -1.153 . . . . 1.0 110.087 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.16 -46.12 62.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.158 -0.964 . . . . 1.0 111.812 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -58.12 -51.42 81.89 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 120.934 -1.104 . . . . 1.0 112.493 -177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.64 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.9 Cg_endo -64.3 -41.72 20.21 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 121.972 1.781 . . . . 1.0 112.634 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.61 -40.52 97.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.018 -1.051 . . . . 1.0 108.223 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -75.56 -32.68 60.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.52 -0.738 . . . . 1.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.42 86.84 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.234 -0.916 . . . . 1.0 109.167 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 0.2 OUTLIER -68.03 -38.2 82.26 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.37 -0.831 . . . . 1.0 109.506 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.34 -43.71 98.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.329 -0.857 . . . . 1.0 108.964 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.71 -33.6 71.82 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 695' ' ' LEU . . . -59.82 -35.65 75.17 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . 0.58 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 29.4 t -69.8 -41.85 74.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.86 . . . . 1.0 109.299 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.509 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -70.7 -29.44 65.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.92 . . . . 1.0 108.546 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 692' ' ' ALA . 13.8 mt -68.07 -38.01 81.9 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.609 ' CD2' ' N ' ' A' ' 697' ' ' GLY . 1.3 p-80 -73.05 -40.15 65.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.484 -0.76 . . . . 1.0 109.564 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . 0.609 ' N ' ' CD2' ' A' ' 696' ' ' HIS . . . -55.59 -27.97 50.17 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.374 -1.49 . . . . 1.0 109.374 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 0.5 OUTLIER -118.59 7.63 11.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.356 -1.085 . . . . 1.0 109.549 -179.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.529 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -50.35 -40.45 49.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.177 -0.952 . . . . 1.0 109.273 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.4 t -50.89 -35.4 32.73 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.922 . . . . 1.0 109.633 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -88.36 -43.42 11.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.965 . . . . 1.0 110.611 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.611 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 51.4 mt -53.5 -32.5 50.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.178 . . . . 1.0 108.749 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.45 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 8.6 m-85 -121.66 -68.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.393 -0.817 . . . . 1.0 109.235 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 33.0 ttt85 72.4 99.18 0.07 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.43 -0.794 . . . . 1.0 109.667 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.26 147.39 53.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.837 . . . . 1.0 109.52 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 39.1 m -79.43 135.64 36.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 1.0 109.447 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -116.89 148.16 41.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 1.0 109.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 117.98 -1.009 . . . . 1.0 109.444 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.84 0 N-CA-C 119.43 2.532 . . . . 1.0 119.43 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 49.7 m -123.11 149.79 44.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -1.155 . . . . 1.0 109.456 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -81.38 -174.32 48.98 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -106.35 163.87 12.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -1.2 . . . . 1.0 109.557 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.54 ' H ' ' HD2' ' A' ' 551' ' ' PRO . 3.4 mt-10 -152.83 -62.19 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.372 -0.83 . . . . 1.0 109.498 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . 0.54 ' HD2' ' H ' ' A' ' 550' ' ' GLU . 77.8 Cg_exo -30.78 152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.98 2.453 . . . . 1.0 112.373 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 3.5 mm? -53.92 -33.06 55.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 1.0 109.347 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.678 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 39.8 tt0 91.97 90.68 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.131 -1.063 . . . . 1.0 108.131 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.21 -37.96 89.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.492 -0.755 . . . . 1.0 111.001 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.52 -42.89 91.54 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.926 -1.109 . . . . 1.0 110.535 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.51 ' O ' ' OG1' ' A' ' 560' ' ' THR . 15.8 t -75.43 -43.23 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.629 -1.294 . . . . 1.0 108.089 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.486 ' O ' HD12 ' A' ' 561' ' ' LEU . . . -59.77 -43.12 94.5 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 1.0 109.498 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -32.13 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.67 -1.269 . . . . 1.0 108.798 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.29 -49.6 33.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.423 -0.798 . . . . 1.0 109.697 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -68.61 -34.83 76.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.902 . . . . 1.0 109.84 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 557' ' ' ALA . 3.7 mt -61.53 -44.97 96.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.9 -1.125 . . . . 1.0 109.036 178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.4 81.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.5 -0.75 . . . . 1.0 109.871 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.529 ' HD3' HD12 ' A' ' 564' ' ' LEU . 0.0 OUTLIER -61.23 -32.34 72.13 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.115 -0.991 . . . . 1.0 108.739 178.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -70.3 -37.62 74.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.607 -0.683 . . . . 1.0 109.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.468 HE22 ' CB ' ' A' ' 688' ' ' ALA . 43.9 mm-40 -61.28 -30.09 70.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 1.0 109.496 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -77.76 -47.69 18.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 1.0 108.562 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.14 -33.39 87.12 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 564' ' ' LEU . 87.1 t -71.98 -49.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 120.992 -1.299 . . . . 1.0 109.049 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 20.2 t -66.88 -39.79 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 1.0 108.725 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.9 m -62.62 -42.73 99.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.545 -0.722 . . . . 1.0 110.12 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 53.2 p -67.39 -32.82 73.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 1.0 109.864 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.556 HG13 ' OG ' ' A' ' 681' ' ' SER . 58.6 t -66.57 -39.07 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.213 -0.929 . . . . 1.0 109.495 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.3 84.31 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.148 -0.97 . . . . 1.0 108.721 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . 0.836 ' NE2' HD11 ' A' ' 578' ' ' LEU . 29.2 t60 -59.65 -50.22 74.71 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.587 -0.696 . . . . 1.0 109.484 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.18 -45.42 72.12 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.229 -0.919 . . . . 1.0 109.003 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.77 -35.2 69.99 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.062 -0.718 . . . . 1.0 109.062 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -58.35 -37.98 76.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.235 -0.916 . . . . 1.0 109.223 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.836 HD11 ' NE2' ' A' ' 574' ' ' HIS . 96.2 mt -66.99 -42.95 84.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.311 -0.868 . . . . 1.0 109.468 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.82 -39.9 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.0 109.498 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 53.31 32.12 43.76 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.606 -1.397 . . . . 1.0 109.606 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 1.9 t 59.18 32.39 22.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -1.164 . . . . 1.0 109.55 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -53.39 139.84 29.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 1.0 109.452 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 76.6 p -151.93 164.05 37.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.287 -0.883 . . . . 1.0 109.473 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -97.3 -172.75 33.91 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.496 -1.441 . . . . 1.0 109.496 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -53.24 -17.09 7.92 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.781 2.321 . . . . 1.0 112.214 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 99.25 -30.91 8.95 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.521 -1.432 . . . . 1.0 109.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -91.83 -174.23 42.66 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.516 -1.434 . . . . 1.0 109.516 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' A' ' 589' ' ' ARG . 1.7 m-90 -89.23 -72.79 0.53 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.297 -1.119 . . . . 1.0 109.642 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 588' ' ' TRP . 94.1 mtt-85 42.54 -160.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.328 -0.858 . . . . 1.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 86.4 p -99.18 155.42 17.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 1.0 109.4 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 5.0 m -76.03 130.34 38.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 1.0 109.524 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 16.9 m -62.25 -34.54 76.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 1.0 109.486 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.3 163.47 49.83 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 1.0 109.528 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.2 145.49 60.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.789 2.326 . . . . 1.0 112.246 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . 0.421 HE21 ' CB ' ' A' ' 670' ' ' THR . 6.3 pt20 -78.14 62.44 2.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.707 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -138.44 69.74 46.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.0 110.078 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -83.42 163.94 14.7 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.689 2.26 . . . . 1.0 112.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -45.07 105.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.677 2.251 . . . . 1.0 112.125 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 75.0 t -66.27 -34.37 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 1.0 109.668 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . 0.506 ' CD ' ' H ' ' A' ' 600' ' ' GLN . 7.3 mp0 -57.79 -42.28 83.82 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 1.0 109.274 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -61.47 -42.2 98.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.427 -0.795 . . . . 1.0 109.201 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 606' ' ' VAL . 0.1 OUTLIER -77.1 -43.14 35.3 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.304 -0.872 . . . . 1.0 109.004 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -65.27 -38.27 89.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.847 . . . . 1.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.73 72.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 1.0 109.958 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.19 -47.21 62.53 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.164 -0.96 . . . . 1.0 110.17 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 602' ' ' LEU . 14.8 p -69.56 -37.57 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 1.0 109.712 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -64.93 -45.9 83.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.966 . . . . 1.0 109.42 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.84 87.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.214 -0.929 . . . . 1.0 109.902 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -44.33 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.021 -1.05 . . . . 1.0 109.529 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.585 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 31.2 m170 -68.24 -29.33 68.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.087 -1.008 . . . . 1.0 108.899 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.81 98.56 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.439 -1.464 . . . . 1.0 109.439 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.9 76.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.055 -1.262 . . . . 1.0 109.443 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.674 HG11 ' CE1' ' A' ' 650' ' ' TYR . 86.8 t -66.89 -45.32 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.212 -0.93 . . . . 1.0 109.397 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -56.23 -33.75 65.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.442 -0.786 . . . . 1.0 110.606 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.17 -34.08 77.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.706 -1.246 . . . . 1.0 108.729 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.74 -38.99 87.76 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.438 -1.319 . . . . 1.0 107.438 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -40.44 96.27 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 107.718 -1.215 . . . . 1.0 107.718 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -72.51 -45.5 59.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.316 -0.865 . . . . 1.0 109.189 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.434 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -64.98 -47.25 78.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.345 -0.847 . . . . 1.0 108.748 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.71 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.848 -1.167 . . . . 1.0 107.848 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -59.98 -41.23 91.55 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 109.24 -0.652 . . . . 1.0 109.24 179.099 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 38.2 p -58.26 -37.18 74.44 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.238 -0.914 . . . . 1.0 108.645 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.68 94.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.451 -0.781 . . . . 1.0 109.065 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' A' ' 627' ' ' ALA . 72.8 t -64.28 -35.48 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 1.0 109.606 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 22.6 t -51.89 148.77 5.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.3 -0.875 . . . . 1.0 110.008 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 34.5 t 47.64 31.74 2.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.993 -1.067 . . . . 1.0 109.749 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 624' ' ' VAL . . . -58.73 149.03 27.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.144 -0.972 . . . . 1.0 109.5 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 73.5 m -122.45 143.5 49.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.223 -0.923 . . . . 1.0 109.677 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -97.91 147.69 24.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.418 ' OG1' ' OD1' ' A' ' 632' ' ' ASP . 40.3 p -130.5 -171.06 2.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 1.0 109.545 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 84.8 p -52.47 -32.93 42.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 1.0 109.463 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 632' ' ' ASP . 47.1 p30 -99.86 164.73 11.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.273 -0.892 . . . . 1.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -154.47 -12.47 0.13 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 1.0 109.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 81.8 m -60.86 -39.28 88.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.352 -0.843 . . . . 1.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 635' ' ' LEU . 4.1 mm? -59.28 -45.97 89.8 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.241 -0.912 . . . . 1.0 109.558 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . 0.452 ' HE1' ' HB1' ' A' ' 627' ' ' ALA . 0.1 OUTLIER -63.05 -42.59 99.75 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.064 -1.022 . . . . 1.0 108.266 178.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.2 78.93 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.732 -0.84 . . . . 1.0 108.732 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -42.95 97.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.504 -0.748 . . . . 1.0 109.177 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.637 ' CD1' HD11 ' A' ' 702' ' ' LEU . 6.4 tt -59.13 -47.42 85.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.392 -0.818 . . . . 1.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 22.0 t -58.63 -42.74 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 1.0 109.955 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -61.61 -44.82 96.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.138 -0.976 . . . . 1.0 110.24 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.4 ' OE1' ' CG ' ' A' ' 694' ' ' PHE . 59.7 tt0 -74.35 -36.43 63.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.965 -1.084 . . . . 1.0 110.107 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -68.8 -49.85 55.11 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.225 -0.922 . . . . 1.0 110.247 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -63.52 -36.59 84.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.041 -1.037 . . . . 1.0 108.92 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -64.53 -34.65 78.74 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.459 -1.312 . . . . 1.0 107.459 178.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -37.92 80.14 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.197 -1.038 . . . . 1.0 108.197 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -63.59 -52.38 61.22 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.952 -0.758 . . . . 1.0 108.952 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -67.51 -42.81 82.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.614 -0.679 . . . . 1.0 109.323 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 645' ' ' LYS . 52.1 t -65.06 -40.25 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.838 . . . . 1.0 110.025 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.674 ' CE1' HG11 ' A' ' 613' ' ' VAL . 42.4 t80 -68.53 -35.65 77.76 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.032 -1.043 . . . . 1.0 109.392 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.64 -36.08 67.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.217 -0.927 . . . . 1.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.7 m -60.82 -43.0 98.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.204 -0.935 . . . . 1.0 109.251 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.487 HD22 ' SG ' ' A' ' 680' ' ' CYS . 87.4 mt -71.25 -35.23 71.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.406 -0.809 . . . . 1.0 109.856 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 650' ' ' TYR . 79.7 t -60.2 -44.03 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.063 . . . . 1.0 109.499 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 659' ' ' VAL . 78.6 t -65.83 -41.53 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.085 -1.009 . . . . 1.0 108.361 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -64.51 -37.32 87.14 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.481 -1.303 . . . . 1.0 107.481 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.46 ' HA2' HD21 ' A' ' 677' ' ' LEU . . . -74.16 -46.74 20.45 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.256 -1.538 . . . . 1.0 109.256 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.94 -28.6 62.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -1.221 . . . . 1.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 655' ' ' VAL . 69.5 t -63.24 -35.05 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.249 -0.907 . . . . 1.0 109.767 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 662' ' ' SER . 2.9 tt -53.93 -35.61 61.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.107 -0.995 . . . . 1.0 109.483 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -73.91 24.73 0.08 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 1.0 109.49 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 660' ' ' LEU . 99.2 p -56.89 -28.5 61.97 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.204 -0.935 . . . . 1.0 109.59 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.07 -121.53 23.32 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -110.89 137.65 48.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.284 -1.127 . . . . 1.0 109.407 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 158.42 -178.9 34.46 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.529 -1.428 . . . . 1.0 109.529 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -49.53 -72.41 0.48 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.387 -1.485 . . . . 1.0 109.387 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -62.45 150.58 86.91 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.977 2.451 . . . . 1.0 112.09 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -161.29 -175.76 32.66 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.706 -1.357 . . . . 1.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -140.55 167.22 22.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -1.107 . . . . 1.0 109.436 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . 0.786 HG23 ' H ' ' A' ' 672' ' ' ASP . 8.8 t -144.53 -171.62 3.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.086 -1.009 . . . . 1.0 110.1 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.22 -26.17 27.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.383 -0.823 . . . . 1.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . 0.786 ' H ' HG23 ' A' ' 670' ' ' THR . 89.4 m-20 -65.75 -46.83 77.37 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.237 -0.914 . . . . 1.0 109.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -57.67 -31.19 66.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.445 -0.784 . . . . 1.0 109.583 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.26 -36.26 81.23 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.205 -0.934 . . . . 1.0 109.141 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.97 -35.79 77.72 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.006 -1.479 . . . . 1.0 107.006 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -71.3 -41.17 70.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 109.333 -0.618 . . . . 1.0 109.333 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.46 HD21 ' HA2' ' A' ' 657' ' ' GLY . 14.1 mt -71.09 -47.24 59.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.976 -1.078 . . . . 1.0 108.499 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.88 -32.63 43.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 N-CA-C 107.844 -1.169 . . . . 1.0 107.844 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.06 67.49 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 108.399 -0.964 . . . . 1.0 108.399 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 653' ' ' LEU . 84.7 m -66.45 -37.45 85.18 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.642 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.6 t -56.48 -34.55 67.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.402 -0.811 . . . . 1.0 110.112 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -77.04 -30.76 55.82 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.816 -1.178 . . . . 1.0 109.202 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.85 -44.68 54.81 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.335 -0.853 . . . . 1.0 112.272 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.577 HG11 HG21 ' A' ' 613' ' ' VAL . 2.0 t -60.09 -50.2 87.38 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 120.557 -1.34 . . . . 1.0 112.333 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.642 ' CD ' ' O ' ' A' ' 681' ' ' SER . 22.7 Cg_endo -67.25 -39.54 12.93 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.99 1.794 . . . . 1.0 112.343 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.69 -40.19 91.3 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.718 -1.216 . . . . 1.0 107.718 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -73.84 -34.29 64.48 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.468 ' CB ' HE22 ' A' ' 565' ' ' GLN . . . -60.2 -41.82 93.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.94 . . . . 1.0 109.061 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -39.15 91.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.463 -0.773 . . . . 1.0 109.103 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -66.03 -43.39 87.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 1.0 109.063 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 48.3 tp -58.66 -33.76 70.47 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.25 -0.906 . . . . 1.0 108.675 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.13 -34.54 78.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.298 -0.876 . . . . 1.0 109.154 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.2 m -68.44 -41.7 79.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -0.944 . . . . 1.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.4 ' CG ' ' OE1' ' A' ' 642' ' ' GLN . 3.7 m-85 -68.41 -33.15 73.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 1.0 108.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.871 ' O ' HD12 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -61.55 -37.11 82.58 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.416 -0.802 . . . . 1.0 109.256 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -68.3 -44.22 75.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.376 -0.827 . . . . 1.0 109.912 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.68 -24.82 57.71 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.432 -1.467 . . . . 1.0 109.432 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.653 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.6 OUTLIER -111.62 2.51 17.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -1.135 . . . . 1.0 109.837 -179.691 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -49.15 -25.13 1.98 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.094 -1.003 . . . . 1.0 109.317 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.6 p -76.92 -31.99 57.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.187 -0.946 . . . . 1.0 109.737 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 701' ' ' LEU . 10.8 mp -93.03 -45.64 7.83 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.147 -0.971 . . . . 1.0 111.067 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.637 HD11 ' CD1' ' A' ' 639' ' ' LEU . 15.0 mt -55.78 -29.08 59.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.731 -1.231 . . . . 1.0 108.24 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 703' ' ' PHE . 40.7 m-85 -121.51 -112.12 0.33 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.453 -0.779 . . . . 1.0 109.028 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -173.12 -96.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.834 . . . . 1.0 110.05 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -142.05 151.48 42.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.365 -0.835 . . . . 1.0 109.464 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 52.1 m -52.37 -41.16 62.85 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 1.0 109.478 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt 54.56 54.8 8.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.167 -0.958 . . . . 1.0 109.423 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.02 -0.99 . . . . 1.0 109.463 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.908 0 N-CA-C 119.428 2.531 . . . . 1.0 119.428 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 82.4 p -62.73 -30.03 71.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -1.126 . . . . 1.0 109.477 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 153.62 -173.61 32.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.527 -1.429 . . . . 1.0 109.527 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 46.03 -158.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.232 -1.157 . . . . 1.0 109.489 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -136.56 89.72 18.1 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 1.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -79.91 144.32 16.99 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.902 2.401 . . . . 1.0 111.93 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 552' ' ' LEU . 3.7 mm? -85.11 -175.57 5.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.866 . . . . 1.0 108.876 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.72 166.86 10.37 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.214 -0.929 . . . . 1.0 109.53 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 24.7 tp -59.29 -39.76 84.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.773 . . . . 1.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 1.0 109.753 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.3 -39.38 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.36 91.94 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -36.47 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.174 -0.954 . . . . 1.0 109.057 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.05 -49.07 66.37 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.392 -0.966 . . . . 1.0 108.392 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.424 ' O ' HD13 ' A' ' 564' ' ' LEU . 53.4 m -58.92 -47.75 83.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.327 -0.858 . . . . 1.0 109.754 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' ' 692' ' ' ALA . 28.5 tp -54.72 -45.64 74.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.169 -0.957 . . . . 1.0 110.055 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -55.03 -43.56 73.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.134 -0.978 . . . . 1.0 109.766 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.406 ' CB ' ' NH1' ' A' ' 563' ' ' ARG . 20.2 mtp-105 -70.73 -32.28 69.41 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 1.0 110.181 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.6 mp -68.14 -43.25 78.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.174 -0.954 . . . . 1.0 110.026 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -64.4 -32.21 73.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.965 -1.084 . . . . 1.0 109.081 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -77.43 -50.65 12.25 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.786 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.41 -33.1 86.32 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 108.786 -1.725 . . . . 1.0 108.786 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 564' ' ' LEU . 72.1 t -73.17 -49.29 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.402 -1.058 . . . . 1.0 108.564 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.38 -39.47 89.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.841 . . . . 1.0 108.913 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 98.9 m -62.62 -43.07 99.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.517 -0.74 . . . . 1.0 110.379 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.7 p -67.77 -31.72 71.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.033 . . . . 1.0 110.366 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 568' ' ' VAL . 59.6 t -64.96 -39.6 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.909 -1.119 . . . . 1.0 109.519 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -61.07 -39.25 89.16 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.149 -0.969 . . . . 1.0 108.495 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -57.73 -51.13 70.82 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.561 -0.712 . . . . 1.0 109.432 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 47.3 tp -56.67 -46.26 81.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.313 -0.867 . . . . 1.0 109.517 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.433 HD13 HG12 ' A' ' 572' ' ' VAL . 5.2 mp -70.1 -32.81 71.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.365 -0.834 . . . . 1.0 109.193 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 573' ' ' ALA . 21.4 t70 -63.79 -35.53 80.9 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.253 -0.904 . . . . 1.0 109.133 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.645 ' O ' HD23 ' A' ' 578' ' ' LEU . 1.3 tt -68.44 -37.48 80.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 1.0 109.5 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.85 -35.93 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.141 -0.974 . . . . 1.0 109.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.72 -34.67 36.93 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.569 -1.413 . . . . 1.0 109.569 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 88.1 p -61.87 -29.75 70.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -1.167 . . . . 1.0 109.477 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -80.82 -157.11 0.15 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.251 -0.906 . . . . 1.0 109.484 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.98 167.35 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -0.863 . . . . 1.0 109.376 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -145.89 -167.12 12.37 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.567 -1.413 . . . . 1.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -52.44 -21.74 14.61 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.355 . . . . 1.0 112.165 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 92.56 14.1 55.97 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 1.0 109.603 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -80.79 -177.03 51.14 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.535 -1.426 . . . . 1.0 109.535 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -96.11 143.29 27.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.251 -1.147 . . . . 1.0 109.52 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 591' ' ' THR . 89.3 mtt-85 -128.67 163.67 24.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 1.0 109.448 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 89.4 p -63.25 71.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.264 -0.898 . . . . 1.0 109.438 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 589' ' ' ARG . 2.3 m 46.13 38.85 5.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.283 -0.885 . . . . 1.0 109.462 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 54.5 p -71.1 157.22 38.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.93 . . . . 1.0 109.479 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -161.31 72.38 2.59 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.173 -0.954 . . . . 1.0 109.513 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . 0.489 ' O ' HD11 ' A' ' 671' ' ' LEU . 48.3 Cg_exo -52.57 142.78 48.28 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.867 2.378 . . . . 1.0 112.19 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.66 -145.41 0.32 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 1.0 109.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.83 77.93 71.25 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 1.0 110.146 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.488 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 36.1 Cg_exo -53.67 -42.95 62.04 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.856 2.37 . . . . 1.0 112.145 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 92.2 Cg_endo -86.8 62.35 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.523 2.149 . . . . 1.0 112.1 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.88 -34.25 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 1.0 109.551 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -56.6 -45.26 81.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 1.0 109.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -58.17 -34.51 70.41 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.418 -0.801 . . . . 1.0 109.285 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 602' ' ' LEU . 0.1 OUTLIER -69.66 -40.32 76.53 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.356 -0.84 . . . . 1.0 109.066 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -64.75 -36.1 83.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 1.0 109.558 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.97 -36.83 75.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 1.0 109.798 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.83 -47.77 57.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 1.0 109.992 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 5.4 p -70.15 -36.58 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.04 -1.038 . . . . 1.0 109.493 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.4 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -60.36 -36.6 78.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 1.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.79 60.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.261 -0.9 . . . . 1.0 109.42 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.463 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -64.87 -42.73 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 1.0 108.992 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' A' ' 650' ' ' TYR . 4.7 t-80 -60.62 -44.03 96.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.972 . . . . 1.0 109.503 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.89 -39.48 96.97 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.677 -1.369 . . . . 1.0 109.677 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.74 74.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.071 -1.252 . . . . 1.0 110.121 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.641 HG11 ' CE1' ' A' ' 650' ' ' TYR . 71.0 t -70.97 -44.87 75.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 120.913 -1.117 . . . . 1.0 108.328 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.469 ' CE1' ' CD ' ' A' ' 618' ' ' GLU . 12.4 t-80 -56.75 -38.43 72.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.37 -0.831 . . . . 1.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -68.92 -28.11 66.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.595 -1.316 . . . . 1.0 108.273 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 617' ' ' LEU . 3.9 tt -72.61 -34.93 67.71 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.856 -0.794 . . . . 1.0 108.856 178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 616' ' ' LEU . 4.9 mp -76.23 -39.82 53.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.0 110.06 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 614' ' ' HIS . 44.6 mt-10 -72.33 -47.79 46.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.155 -0.966 . . . . 1.0 111.494 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.752 ' CD1' ' N ' ' A' ' 620' ' ' ALA . 0.0 OUTLIER -67.62 -39.79 84.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.717 -1.239 . . . . 1.0 108.893 -179.145 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.752 ' N ' ' CD1' ' A' ' 619' ' ' PHE . . . -64.74 -39.06 92.99 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.911 -1.144 . . . . 1.0 107.911 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.44 ' CG ' HH11 ' A' ' 621' ' ' ARG . 0.0 OUTLIER -61.15 -37.6 83.44 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.429 0.633 . . . . 1.0 109.39 178.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 30.8 t -60.27 -37.74 81.37 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.481 -0.762 . . . . 1.0 110.094 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.18 86.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 1.0 110.109 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.77 -39.92 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.224 -0.923 . . . . 1.0 109.936 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 25.8 m -57.25 -36.9 71.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.048 -1.032 . . . . 1.0 109.635 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 79.7 p -75.53 -5.88 47.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.329 -0.857 . . . . 1.0 110.031 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -49.23 148.41 2.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.148 -0.97 . . . . 1.0 109.512 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 5.2 t -85.18 177.89 7.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 1.0 109.35 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.493 ' C ' ' H ' ' A' ' 631' ' ' SER . 95.5 m-70 -124.44 177.7 5.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.0 109.55 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.68 -1.95 0.41 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 1.0 109.464 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.493 ' H ' ' C ' ' A' ' 629' ' ' HIS . 18.9 p -117.87 56.01 0.86 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.261 -0.899 . . . . 1.0 109.418 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -64.78 132.52 49.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.264 -0.898 . . . . 1.0 109.492 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -141.41 158.94 43.21 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.275 -0.89 . . . . 1.0 109.384 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 40.0 p -62.87 -30.69 71.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 1.0 109.64 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 698' ' ' ASN . 0.2 OUTLIER -58.6 -47.28 84.86 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.94 . . . . 1.0 109.464 -179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -44.9 95.28 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 1.0 108.36 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.42 -49.34 76.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.595 -0.891 . . . . 1.0 108.595 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.42 94.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 1.0 109.332 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.609 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.4 tt -59.51 -47.56 85.04 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0 109.983 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . 0.435 ' O ' ' OE1' ' A' ' 644' ' ' GLN . 23.1 t -60.33 -39.1 85.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.244 -0.91 . . . . 1.0 110.396 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -62.23 -45.54 92.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.063 -1.023 . . . . 1.0 110.115 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -74.8 -33.97 62.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.216 -0.928 . . . . 1.0 109.813 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.46 -50.2 64.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 1.0 109.403 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . 0.492 ' N ' ' CD ' ' A' ' 644' ' ' GLN . 1.1 mp0 -63.17 -37.63 87.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.439 -0.788 . . . . 1.0 110.106 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 649' ' ' VAL . 17.3 ttpp -64.01 -33.16 75.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.798 -1.189 . . . . 1.0 108.222 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -38.34 79.99 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.486 -0.931 . . . . 1.0 108.486 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.498 ' OE2' HD23 ' A' ' 617' ' ' LEU . 56.6 mm-40 -63.33 -50.71 68.94 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -65.14 -42.81 93.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 645' ' ' LYS . 40.7 t -61.7 -45.63 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 1.0 109.521 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.641 ' CE1' HG11 ' A' ' 613' ' ' VAL . 10.9 t80 -64.15 -35.79 81.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 1.0 110.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.4 -31.16 72.11 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.972 . . . . 1.0 109.823 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.42 HG22 ' ND1' ' A' ' 656' ' ' HIS . 19.4 m -64.59 -38.56 91.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.052 -1.03 . . . . 1.0 109.46 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 680' ' ' CYS . 15.4 mt -62.73 -39.24 93.45 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 1.0 109.636 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.22 -44.78 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.171 -0.956 . . . . 1.0 110.028 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.57 -46.84 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 120.901 -1.124 . . . . 1.0 108.285 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . 0.42 ' ND1' HG22 ' A' ' 652' ' ' THR . 13.0 m170 -59.47 -39.0 82.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.847 -1.168 . . . . 1.0 107.847 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.7 -44.79 24.6 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.1 -36.46 68.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.431 -1.629 . . . . 1.0 109.374 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.42 -36.97 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.439 ' O ' ' CE2' ' A' ' 669' ' ' PHE . 5.1 tt -56.87 -33.88 67.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 1.0 109.409 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -68.34 116.73 9.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 60.2 p -78.7 161.89 26.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 1.0 109.477 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 163.9 -103.5 0.21 Allowed Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.523 -1.431 . . . . 1.0 109.523 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -115.34 162.78 16.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.302 -1.116 . . . . 1.0 109.463 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 98.39 0.72 58.1 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 1.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 62.17 71.38 0.82 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.606 -1.398 . . . . 1.0 109.606 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -49.34 151.05 7.12 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.019 2.48 . . . . 1.0 112.405 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -142.64 63.95 0.5 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.615 -1.394 . . . . 1.0 109.615 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 669' ' ' PHE . 6.1 p90 -135.13 157.62 46.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.216 -1.167 . . . . 1.0 109.486 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . 0.847 HG23 ' H ' ' A' ' 672' ' ' ASP . 15.1 t -155.37 -161.42 1.17 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.303 -0.873 . . . . 1.0 109.771 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 594' ' ' PRO . 62.5 mt -54.15 -25.47 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 1.0 109.816 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . 0.847 ' H ' HG23 ' A' ' 670' ' ' THR . 85.2 m-20 -67.17 -46.89 72.64 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.216 -0.928 . . . . 1.0 109.223 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.476 ' CG ' HH21 ' A' ' 676' ' ' ARG . 59.7 t0 -57.51 -34.2 68.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 1.0 109.738 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 674' ' ' LEU . 10.9 mp -66.19 -35.61 80.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -0.957 . . . . 1.0 109.404 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.19 -35.99 78.65 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.192 -1.41 . . . . 1.0 107.192 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . 0.476 HH21 ' CG ' ' A' ' 673' ' ' ASP . 64.6 mtm180 -70.75 -41.95 71.11 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.61 -47.5 59.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.013 -1.054 . . . . 1.0 108.644 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.33 -32.74 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.83 57.57 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.726 ' CB ' HD21 ' A' ' 653' ' ' LEU . 87.8 m -64.53 -37.92 89.21 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.372 -0.83 . . . . 1.0 109.106 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.591 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 33.6 t -55.79 -33.76 64.68 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 1.0 110.443 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -75.28 -27.89 59.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.678 -1.264 . . . . 1.0 109.95 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.37 70.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.061 -1.024 . . . . 1.0 110.844 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.0 OUTLIER -57.09 -52.94 70.39 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.094 -1.004 . . . . 1.0 112.334 -178.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.591 ' CD ' ' O ' ' A' ' 681' ' ' SER . 23.1 Cg_endo -62.85 -41.51 29.54 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.687 1.592 . . . . 1.0 112.902 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.56 -42.72 98.34 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.967 -1.083 . . . . 1.0 109.002 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -72.52 -34.12 67.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.26 -0.9 . . . . 1.0 109.43 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.95 82.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.152 -0.967 . . . . 1.0 108.957 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -64.65 -36.97 85.99 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.378 -0.826 . . . . 1.0 109.342 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -65.2 -45.15 85.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.457 -0.777 . . . . 1.0 109.453 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.88 -36.09 74.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.116 -0.99 . . . . 1.0 108.36 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 561' ' ' LEU . . . -57.08 -38.48 73.37 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.635 -0.876 . . . . 1.0 108.635 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 26.7 t -72.03 -42.94 65.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.443 -0.786 . . . . 1.0 109.724 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.522 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.6 m-85 -66.16 -40.65 90.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.091 -1.006 . . . . 1.0 108.408 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 699' ' ' ALA . 7.9 mp -66.26 -36.64 83.53 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 696' ' ' HIS . 7.4 t60 -72.5 -36.21 68.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.427 -0.795 . . . . 1.0 109.734 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.61 67.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 108.906 -1.678 . . . . 1.0 108.906 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.609 HD21 ' CD1' ' A' ' 639' ' ' LEU . 3.6 p30 -125.66 8.05 7.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.415 -1.05 . . . . 1.0 109.584 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.49 -40.54 62.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.131 -0.981 . . . . 1.0 109.653 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.9 m -48.19 -32.83 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -0.945 . . . . 1.0 109.722 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.61 -39.88 13.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.184 -0.947 . . . . 1.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.513 HD21 ' OD1' ' A' ' 698' ' ' ASN . 35.4 mt -55.09 -32.23 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.763 -1.211 . . . . 1.0 108.484 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.87 -67.01 1.02 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.347 -0.846 . . . . 1.0 109.158 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 705' ' ' ARG . 14.0 tpt85 63.33 46.95 4.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 1.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 704' ' ' ARG . 90.7 mtm-85 49.6 -176.7 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.034 -1.041 . . . . 1.0 109.469 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 43.8 p -74.51 -14.98 60.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 1.0 109.534 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.6 133.32 47.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 1.0 109.469 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.001 -0.999 . . . . 1.0 109.489 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.367 2.507 . . . . 1.0 119.367 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 83.1 p -145.58 162.51 37.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.219 -1.165 . . . . 1.0 109.436 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -91.35 97.75 2.35 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.592 -1.403 . . . . 1.0 109.592 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -58.42 -39.34 79.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -1.16 . . . . 1.0 109.527 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -133.67 82.73 49.99 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.244 -0.91 . . . . 1.0 109.41 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -85.46 -94.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.78 2.32 . . . . 1.0 112.683 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.427 ' CD1' ' OG ' ' A' ' 622' ' ' SER . 67.6 mt -119.43 149.01 42.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.145 -0.972 . . . . 1.0 109.691 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -103.5 145.66 29.68 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.175 -1.046 . . . . 1.0 108.175 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 699' ' ' ALA . 2.2 tt -53.82 -43.17 69.16 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.577 -0.702 . . . . 1.0 109.398 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 558' ' ' VAL . 42.8 tp10 -63.61 -41.18 98.33 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.458 -0.776 . . . . 1.0 109.845 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.523 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.3 t -74.09 -37.49 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.677 -1.265 . . . . 1.0 107.902 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.3 -42.97 74.37 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.638 -0.664 . . . . 1.0 109.659 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 555' ' ' GLU . 27.2 m -72.84 -33.57 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.376 -0.827 . . . . 1.0 110.811 -178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -73.05 -51.47 18.0 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.573 -1.329 . . . . 1.0 109.594 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -61.02 -43.58 98.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.505 -0.747 . . . . 1.0 109.828 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.24 -41.17 90.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.074 -1.016 . . . . 1.0 109.428 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.03 -38.55 79.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.204 -0.935 . . . . 1.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.486 ' NH1' ' CD1' ' A' ' 564' ' ' LEU . 2.2 ttt-85 -63.27 -33.63 75.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.225 -0.922 . . . . 1.0 109.073 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.7 mp -67.09 -40.29 86.91 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.413 -0.804 . . . . 1.0 110.076 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -62.38 -31.89 72.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.151 -0.968 . . . . 1.0 109.92 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -77.3 -48.41 17.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.997 -1.065 . . . . 1.0 108.343 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 571' ' ' THR . . . -59.47 -33.4 76.3 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.237 -1.545 . . . . 1.0 109.237 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.1 t -72.16 -48.07 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -1.227 . . . . 1.0 108.391 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 29.9 m -63.78 -41.59 97.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.355 -0.98 . . . . 1.0 108.355 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 59.5 m -60.97 -42.07 97.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.621 -0.674 . . . . 1.0 109.825 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.55 ' OG1' HG23 ' A' ' 609' ' ' VAL . 12.8 p -63.0 -32.98 74.46 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.192 -0.942 . . . . 1.0 110.376 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.33 -37.85 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.926 -1.109 . . . . 1.0 109.411 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.85 87.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.047 -1.033 . . . . 1.0 108.56 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -58.23 -49.41 77.18 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.536 -0.727 . . . . 1.0 109.728 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.02 -48.74 75.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.375 -0.828 . . . . 1.0 109.535 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.26 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.46 -0.775 . . . . 1.0 109.381 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -59.29 -39.33 82.64 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.195 -0.94 . . . . 1.0 108.872 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 601' ' ' ASP . 2.8 mm? -63.92 -43.3 96.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.43 -0.794 . . . . 1.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 581' ' ' SER . 96.9 t -67.03 -40.54 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.935 . . . . 1.0 109.492 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . 46.66 28.06 3.42 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.414 ' H ' HG12 ' A' ' 579' ' ' VAL . 2.5 m 58.4 51.25 8.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.279 -1.13 . . . . 1.0 109.43 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -58.98 -40.58 85.22 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.909 . . . . 1.0 109.489 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 582' ' ' ALA . 7.5 p 44.22 90.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.236 -0.915 . . . . 1.0 109.487 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -82.09 -174.15 49.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -53.91 148.76 36.7 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.821 2.347 . . . . 1.0 112.196 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -76.08 -132.95 0.43 Allowed Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.27 -35.1 59.82 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.584 -1.406 . . . . 1.0 109.584 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -69.47 152.22 45.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.209 -1.171 . . . . 1.0 109.516 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -139.52 137.51 35.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 1.0 109.417 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 49.9 m -150.23 156.62 41.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.217 -0.927 . . . . 1.0 109.492 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 592' ' ' SER . 36.8 m -87.79 120.98 29.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 1.0 109.509 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 591' ' ' THR . 0.8 OUTLIER 164.47 151.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 1.0 109.471 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 48.09 75.08 0.7 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 1.0 109.649 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.8 146.53 8.33 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.811 2.341 . . . . 1.0 112.148 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -93.94 121.38 35.35 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 1.0 109.435 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.529 ' OE1' HD21 ' A' ' 674' ' ' LEU . 64.6 mt-10 47.82 69.95 2.38 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.183 -0.948 . . . . 1.0 109.689 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.446 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 7.4 Cg_exo -55.57 -43.9 53.4 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.225 1.95 . . . . 1.0 113.319 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 71.7 Cg_endo -84.91 92.74 0.71 Allowed 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.066 1.844 . . . . 1.0 112.027 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.13 -34.39 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.892 . . . . 1.0 110.089 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -57.42 -37.08 72.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.121 -0.987 . . . . 1.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.545 ' CG ' HD11 ' A' ' 578' ' ' LEU . 55.2 t0 -62.21 -42.29 99.16 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.293 -0.88 . . . . 1.0 109.329 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.5 tt -70.32 -43.22 70.74 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.394 -0.816 . . . . 1.0 108.999 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -58.27 -35.32 71.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.35 -0.844 . . . . 1.0 109.818 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.04 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.185 -0.947 . . . . 1.0 109.994 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -70.56 -47.56 59.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.231 -0.918 . . . . 1.0 110.254 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 602' ' ' LEU . 8.3 p -66.48 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 1.0 109.728 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -68.54 -26.55 65.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.205 -0.934 . . . . 1.0 109.844 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.45 -51.32 44.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.236 -0.915 . . . . 1.0 109.973 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.55 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.9 OUTLIER -63.08 -43.04 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.129 -0.982 . . . . 1.0 109.28 -179.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.59 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 64.5 m170 -60.86 -43.59 98.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.211 -0.931 . . . . 1.0 108.87 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.61 -40.98 98.64 Favored Glycine 0 N--CA 1.486 2.02 0 N-CA-C 110.12 -1.192 . . . . 1.0 110.12 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.92 73.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.92 -1.341 . . . . 1.0 109.576 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.924 HG11 ' CD1' ' A' ' 650' ' ' TYR . 71.9 t -64.51 -46.46 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 1.0 109.145 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -53.26 -38.06 62.7 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.66 -0.867 . . . . 1.0 108.66 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -62.05 -32.54 73.07 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -70.23 -44.29 68.86 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 107.372 -1.344 . . . . 1.0 107.372 178.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 613' ' ' VAL . 0.7 OUTLIER -61.9 -40.55 95.82 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.889 -1.152 . . . . 1.0 107.889 178.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.24 -44.54 62.74 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.332 -0.855 . . . . 1.0 109.585 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.4 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.88 -48.29 77.26 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.059 -1.026 . . . . 1.0 108.644 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.08 95.84 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.439 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.36 -42.92 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.678 -0.639 . . . . 1.0 109.464 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . 0.427 ' OG ' ' CD1' ' A' ' 552' ' ' LEU . 1.5 p -64.48 -39.68 94.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.31 -0.869 . . . . 1.0 109.056 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 702' ' ' LEU . . . -57.69 -47.66 81.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.332 -0.855 . . . . 1.0 109.51 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 17.2 m -72.16 -35.55 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.248 -0.908 . . . . 1.0 109.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 28.2 t -51.74 -32.73 31.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.244 -0.91 . . . . 1.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 51.5 p -81.93 4.83 21.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.113 -0.992 . . . . 1.0 108.911 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -59.88 -96.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.387 -0.821 . . . . 1.0 109.746 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 1.2 m 46.35 31.17 1.19 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 1.0 109.377 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -96.41 9.32 41.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 109.493 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 47.32 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 1.0 109.32 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 8.4 t 46.38 87.48 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 1.0 109.477 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.1 141.0 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.286 -0.884 . . . . 1.0 109.448 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . 0.469 HH11 HD21 ' A' ' 701' ' ' LEU . 49.1 mtp180 -127.74 169.39 13.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 1.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 21.4 m -60.37 -35.12 74.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.326 -0.859 . . . . 1.0 109.6 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.75 -48.26 80.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 1.0 109.468 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -58.22 -44.03 87.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.331 -0.988 . . . . 1.0 108.331 178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.44 67.64 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.507 -0.746 . . . . 1.0 109.004 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.46 -44.58 96.85 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.345 -0.847 . . . . 1.0 109.509 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.518 ' CD1' HD22 ' A' ' 698' ' ' ASN . 5.5 tt -71.16 -46.43 61.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.383 -0.823 . . . . 1.0 109.3 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 44.6 t -58.1 -42.2 85.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 1.0 109.765 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -58.7 -45.57 89.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.078 -1.014 . . . . 1.0 109.949 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 694' ' ' PHE . 27.1 mt-30 -70.17 -33.42 71.74 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.198 -0.939 . . . . 1.0 110.216 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.75 -48.17 72.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.147 -0.971 . . . . 1.0 109.816 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.84 -37.49 81.95 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.282 -0.886 . . . . 1.0 108.966 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -66.72 -36.01 81.48 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.773 -1.195 . . . . 1.0 107.773 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.24 -37.15 83.08 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.042 -1.095 . . . . 1.0 108.042 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -63.2 -52.42 62.37 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.654 0.74 . . . . 1.0 109.168 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -67.43 -43.9 80.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.615 -0.678 . . . . 1.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 23.2 t -61.19 -45.09 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.282 -0.886 . . . . 1.0 110.113 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.924 ' CD1' HG11 ' A' ' 613' ' ' VAL . 36.6 t80 -69.76 -35.69 75.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.98 -1.075 . . . . 1.0 110.671 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.29 -36.01 68.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.674 -1.266 . . . . 1.0 109.937 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 50.5 m -61.69 -43.29 99.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 1.0 109.389 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 657' ' ' GLY . 86.7 mt -68.89 -36.58 78.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.362 -0.836 . . . . 1.0 109.694 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 650' ' ' TYR . 77.6 t -61.09 -44.23 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.595 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 659' ' ' VAL . 89.0 t -67.35 -44.19 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.078 -1.014 . . . . 1.0 108.441 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -65.27 -36.34 83.82 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 107.586 -1.264 . . . . 1.0 107.586 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -73.89 -43.68 33.61 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.389 -1.484 . . . . 1.0 109.389 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -55.73 -30.54 61.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -1.169 . . . . 1.0 109.565 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 655' ' ' VAL . 71.1 t -64.56 -36.65 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.164 -0.96 . . . . 1.0 110.009 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.641 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.2 -25.47 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.114 -0.991 . . . . 1.0 109.513 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -78.21 117.2 19.26 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.391 -0.818 . . . . 1.0 109.762 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m -63.08 154.85 29.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.144 -0.973 . . . . 1.0 109.499 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -149.07 -179.75 25.21 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.611 -1.395 . . . . 1.0 109.611 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -76.93 -7.37 55.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -1.156 . . . . 1.0 109.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -56.51 -42.38 89.92 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.507 -1.437 . . . . 1.0 109.507 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . 0.519 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . 128.23 -51.13 0.86 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.476 -1.449 . . . . 1.0 109.476 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 31.7 Cg_exo -57.7 152.99 45.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.979 2.453 . . . . 1.0 112.132 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.08 9.07 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.713 -1.355 . . . . 1.0 109.713 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 660' ' ' LEU . 50.4 p90 -133.98 163.75 28.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.344 -1.092 . . . . 1.0 109.53 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 19.7 p -134.19 -175.73 3.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -0.889 . . . . 1.0 110.028 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.72 -23.91 13.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.0 109.722 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -66.22 -44.74 82.96 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.173 -0.954 . . . . 1.0 108.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -57.88 -35.33 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.383 -0.823 . . . . 1.0 109.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.529 HD21 ' OE1' ' A' ' 596' ' ' GLU . 11.0 mp -60.24 -42.76 95.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.297 -0.877 . . . . 1.0 109.025 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.32 -35.78 76.4 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.321 -1.363 . . . . 1.0 107.321 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 679' ' ' ALA . 91.0 mtt-85 -73.7 -38.92 64.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.67 -49.63 61.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.932 -1.105 . . . . 1.0 108.58 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 67.2 t -55.24 -31.03 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 107.666 -1.235 . . . . 1.0 107.666 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 676' ' ' ARG . . . -68.55 -40.55 80.63 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.28 -41.77 93.83 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.403 -0.81 . . . . 1.0 108.924 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.657 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.2 t -57.05 -31.95 65.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.348 -0.845 . . . . 1.0 110.271 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.45 -32.04 58.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.755 -1.216 . . . . 1.0 109.508 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.139 -0.976 . . . . 1.0 110.906 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -56.36 -51.29 82.14 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 120.815 -1.178 . . . . 1.0 112.276 -176.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.657 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.8 Cg_exo -66.41 -42.01 10.84 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.569 1.512 . . . . 1.0 112.481 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -63.65 -44.36 94.04 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.059 -1.026 . . . . 1.0 108.953 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.83 -37.65 64.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.425 -0.797 . . . . 1.0 110.597 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.68 97.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.799 -1.188 . . . . 1.0 109.291 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -65.68 -38.69 89.96 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.16 -0.962 . . . . 1.0 108.99 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -59.67 -45.49 91.9 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -0.892 . . . . 1.0 108.986 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.581 ' O ' HD13 ' A' ' 695' ' ' LEU . 8.0 mp -58.9 -36.98 75.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.276 -0.89 . . . . 1.0 108.703 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.93 81.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.285 -0.884 . . . . 1.0 109.193 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.8 m -68.57 -43.56 76.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.0 109.905 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.539 ' CZ ' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -64.6 -36.32 83.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.098 -1.002 . . . . 1.0 109.038 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 691' ' ' LEU . 6.4 mp -61.08 -37.63 83.39 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.305 -0.872 . . . . 1.0 108.925 178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -61.33 -45.6 93.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.218 -0.927 . . . . 1.0 110.46 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -69.07 -21.18 75.4 Favored Glycine 0 N--CA 1.495 2.579 0 C-N-CA 119.993 -1.098 . . . . 1.0 110.416 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.518 HD22 ' CD1' ' A' ' 639' ' ' LEU . 0.1 OUTLIER -111.84 2.6 17.14 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.876 -1.367 . . . . 1.0 110.15 -179.434 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 554' ' ' LEU . . . -59.18 -22.42 60.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.109 -0.995 . . . . 1.0 109.458 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 41.5 t -67.73 -46.98 70.62 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.26 -1.015 . . . . 1.0 108.26 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 701' ' ' LEU . 11.2 mp -101.59 -20.28 15.12 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.473 -0.767 . . . . 1.0 110.146 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 623' ' ' ALA . 48.8 tp -65.73 -26.87 67.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.836 -1.165 . . . . 1.0 108.613 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.56 -74.27 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.437 -0.79 . . . . 1.0 109.42 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -89.87 -118.26 0.06 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.0 109.763 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.3 -25.76 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 1.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 24.5 p -85.15 162.67 19.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.195 -0.941 . . . . 1.0 109.417 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -72.64 166.21 23.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 1.0 109.387 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.964 -1.017 . . . . 1.0 109.518 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.885 0 N-CA-C 119.368 2.507 . . . . 1.0 119.368 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 33.0 t -59.49 -33.83 71.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.254 -1.144 . . . . 1.0 109.445 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -63.98 124.62 30.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.505 -1.438 . . . . 1.0 109.505 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -97.24 5.23 50.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.2 -1.176 . . . . 1.0 109.399 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -118.06 87.58 29.11 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.256 -0.903 . . . . 1.0 109.651 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.39 -65.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.056 1.837 . . . . 1.0 112.605 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 13.9 mt -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.493 -0.754 . . . . 1.0 109.187 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -103.97 148.12 26.56 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.13 -0.981 . . . . 1.0 109.317 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.542 ' CD1' ' HB1' ' A' ' 699' ' ' ALA . 21.1 tp -55.85 -40.58 73.08 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.454 -0.779 . . . . 1.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.47 -42.41 83.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.427 -0.796 . . . . 1.0 110.493 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.642 ' O ' ' OG1' ' A' ' 560' ' ' THR . 76.5 t -69.98 -48.49 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.639 -1.288 . . . . 1.0 107.549 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -55.66 -40.24 71.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.446 -0.946 . . . . 1.0 108.446 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.94 -35.98 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.448 -0.782 . . . . 1.0 109.62 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.95 -48.54 44.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.927 -1.108 . . . . 1.0 108.78 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.0 OUTLIER -61.9 -45.05 95.42 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.777 -0.577 . . . . 1.0 110.152 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.4 -28.87 69.56 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.241 -0.912 . . . . 1.0 109.859 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.2 81.59 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.403 -0.81 . . . . 1.0 109.435 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 62.3 mtm-85 -66.47 -32.13 73.3 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.285 -0.884 . . . . 1.0 109.449 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 568' ' ' VAL . 6.1 mp -72.59 -41.25 65.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 1.0 109.247 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -59.76 -36.19 76.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.433 -0.792 . . . . 1.0 110.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 566' ' ' GLN . 10.2 pt20 -79.14 -43.09 24.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.577 -1.327 . . . . 1.0 108.889 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.606 ' O ' HG23 ' A' ' 571' ' ' THR . . . -62.01 -32.41 82.11 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 108.76 -1.736 . . . . 1.0 108.76 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 564' ' ' LEU . 80.6 t -71.06 -49.04 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.353 -1.086 . . . . 1.0 108.938 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 13.9 m -66.34 -38.54 87.86 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.255 -0.903 . . . . 1.0 108.71 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 86.3 m -61.59 -42.57 99.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.603 -0.685 . . . . 1.0 109.947 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 609' ' ' VAL . 35.3 p -66.03 -33.51 75.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.179 -0.95 . . . . 1.0 109.718 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.79 -38.76 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.0 109.228 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.68 -38.65 82.12 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.15 -51.56 67.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.649 -0.657 . . . . 1.0 109.349 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 575' ' ' LEU . 0.2 OUTLIER -57.71 -49.15 77.48 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.368 -0.832 . . . . 1.0 109.608 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.0 -36.34 81.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 1.0 109.184 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 573' ' ' ALA . 91.7 m-20 -60.0 -39.79 86.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.274 -0.892 . . . . 1.0 109.15 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 605' ' ' ALA . 12.4 mt -62.62 -37.79 87.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.383 -0.823 . . . . 1.0 109.353 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.27 -40.69 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 1.0 109.507 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -57.51 -38.85 89.36 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 83.2 p -66.59 -26.66 67.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.319 -1.106 . . . . 1.0 109.477 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 583' ' ' SER . . . -64.06 -26.01 68.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 1.0 109.475 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 582' ' ' ALA . 6.1 t 50.47 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.0 109.387 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -59.74 166.1 10.19 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.07 -24.33 76.47 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.796 2.33 . . . . 1.0 112.201 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 48.25 -172.33 0.05 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.565 -1.414 . . . . 1.0 109.565 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.69 67.96 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.479 -1.448 . . . . 1.0 109.479 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -147.16 170.28 17.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.258 -1.142 . . . . 1.0 109.437 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -147.05 153.11 39.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.152 -0.968 . . . . 1.0 109.505 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 14.2 m -73.18 -74.53 0.17 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 1.0 109.535 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 162.63 35.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 1.0 109.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 34.7 t -101.3 144.3 30.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.0 109.522 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -132.58 159.67 71.48 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.335 -0.853 . . . . 1.0 109.296 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -43.27 142.54 2.63 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.478 2.119 . . . . 1.0 112.327 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -139.52 19.52 2.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -0.922 . . . . 1.0 109.733 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.782 ' O ' HG13 ' A' ' 599' ' ' VAL . 0.0 OUTLIER -99.08 -45.91 0.22 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.302 -0.874 . . . . 1.0 110.156 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.632 ' C ' ' H ' ' A' ' 599' ' ' VAL . 46.2 Cg_exo -54.95 -41.57 77.4 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.563 2.176 . . . . 1.0 111.878 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 53.3 Cg_exo -53.0 8.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 121.973 1.782 . . . . 1.0 112.137 179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 596' ' ' GLU . 2.3 m -58.22 -40.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.256 -0.903 . . . . 1.0 109.72 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.26 -45.43 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -0.973 . . . . 1.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.15 -37.95 78.52 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.474 -0.766 . . . . 1.0 109.104 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 602' ' ' LEU . 1.6 tt -74.56 -41.66 60.15 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.46 -0.775 . . . . 1.0 109.106 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -32.02 73.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.531 -0.73 . . . . 1.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.8 57.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.0 109.902 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 578' ' ' LEU . . . -68.99 -47.67 64.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.0 110.135 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 607' ' ' ALA . 2.7 p -61.13 -35.73 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.007 . . . . 1.0 109.808 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 606' ' ' VAL . . . -69.77 -28.57 65.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 1.0 109.842 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -67.71 -52.83 33.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 1.0 110.191 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.869 ' O ' HG23 ' A' ' 613' ' ' VAL . 2.7 p -63.43 -43.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.935 -1.103 . . . . 1.0 109.565 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.717 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 7.2 t-80 -60.49 -47.44 86.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.123 -0.986 . . . . 1.0 108.973 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -59.22 -40.77 96.23 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 109.144 -1.582 . . . . 1.0 109.144 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -67.98 -35.04 77.68 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.288 -1.125 . . . . 1.0 109.776 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 609' ' ' VAL . 18.7 t -67.43 -44.61 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.927 -1.108 . . . . 1.0 108.876 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -36.98 61.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -0.758 . . . . 1.0 109.666 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.25 -32.09 73.57 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.266 -1.012 . . . . 1.0 108.266 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.597 HD22 ' HB1' ' A' ' 688' ' ' ALA . 6.4 tp -66.65 -44.07 82.88 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.7 -45.02 95.78 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.856 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.72 -45.13 60.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.95 -1.094 . . . . 1.0 111.125 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.441 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -62.42 -47.56 83.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.748 -1.22 . . . . 1.0 109.69 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.1 89.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.99 -1.069 . . . . 1.0 109.589 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -38.74 82.15 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.163 -0.961 . . . . 1.0 109.078 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 625' ' ' SER . 24.2 m -57.78 -42.93 85.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.076 -1.015 . . . . 1.0 108.369 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.75 76.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.287 -0.883 . . . . 1.0 109.794 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.07 -35.53 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.184 -0.948 . . . . 1.0 109.709 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 622' ' ' SER . 84.8 p -59.31 -33.36 71.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 1.0 109.618 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 702' ' ' LEU . 92.3 p -66.94 -25.23 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.963 . . . . 1.0 108.921 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -75.76 129.69 37.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.372 -0.83 . . . . 1.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -4.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.203 -0.935 . . . . 1.0 109.48 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.438 ' C ' HG23 ' A' ' 630' ' ' THR . 97.5 m-70 -105.12 166.9 10.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 1.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.438 HG23 ' C ' ' A' ' 629' ' ' HIS . 1.6 p 57.83 165.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.0 109.441 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 60.4 p -73.38 164.96 25.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 1.0 109.415 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -67.33 138.44 56.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.279 -0.888 . . . . 1.0 109.398 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -108.05 165.46 11.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.926 . . . . 1.0 109.372 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 65.3 p -59.47 -33.32 71.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 1.0 109.497 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 697' ' ' GLY . 69.1 mt -58.06 -46.25 85.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 1.0 109.43 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -62.91 -45.6 91.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.193 -0.942 . . . . 1.0 108.541 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.94 75.24 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.918 -0.771 . . . . 1.0 108.918 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -63.69 -46.02 87.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.447 -0.783 . . . . 1.0 109.178 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.635 HD22 HD22 ' A' ' 698' ' ' ASN . 27.0 tp -62.97 -46.54 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 1.0 109.442 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -42.26 98.44 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.158 -0.964 . . . . 1.0 109.293 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -61.47 -44.35 97.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 1.0 109.631 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.445 ' CB ' HD11 ' A' ' 691' ' ' LEU . 83.3 mm-40 -72.05 -47.01 54.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.237 -0.914 . . . . 1.0 109.657 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.6 tt -59.24 -45.17 91.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.409 -0.807 . . . . 1.0 110.003 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.64 -32.04 73.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.112 -0.993 . . . . 1.0 109.024 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.765 ' O ' HG23 ' A' ' 649' ' ' VAL . 0.0 OUTLIER -65.57 -39.65 91.9 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.575 -1.269 . . . . 1.0 107.575 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.83 -38.92 90.2 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -60.68 -51.23 70.24 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.59 0.709 . . . . 1.0 109.102 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -66.26 -41.72 89.5 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.572 -0.705 . . . . 1.0 109.266 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 645' ' ' LYS . 92.1 t -65.65 -39.17 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 1.0 110.088 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.717 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 6.0 t80 -63.5 -35.48 80.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.949 -1.094 . . . . 1.0 110.037 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.37 -31.8 72.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.048 -1.033 . . . . 1.0 109.725 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 44.5 m -64.95 -37.9 89.17 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.13 -0.981 . . . . 1.0 109.266 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 657' ' ' GLY . 5.2 mt -65.79 -37.05 85.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.361 -0.837 . . . . 1.0 109.562 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 658' ' ' GLN . 77.7 t -60.18 -43.27 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.017 . . . . 1.0 109.254 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 75.6 t -68.06 -46.97 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.031 -1.043 . . . . 1.0 108.423 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.35 -36.81 83.4 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.766 -1.198 . . . . 1.0 107.766 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -75.26 -40.55 33.55 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.279 -1.529 . . . . 1.0 109.279 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 654' ' ' VAL . 6.0 mm-40 -54.7 -30.03 54.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -1.217 . . . . 1.0 109.223 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.54 -39.54 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 1.0 109.628 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.6 HD11 HD13 ' A' ' 602' ' ' LEU . 2.6 tt -81.01 75.45 7.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.34 -0.85 . . . . 1.0 109.411 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 662' ' ' SER . 48.5 t0 -173.5 -117.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.904 . . . . 1.0 109.515 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 661' ' ' ASP . 30.9 t -153.88 -120.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 1.0 109.524 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . 0.424 ' N ' ' OG ' ' A' ' 662' ' ' SER . . . 88.43 -165.06 33.67 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.608 -1.397 . . . . 1.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -55.3 141.82 34.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.223 -1.163 . . . . 1.0 109.606 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.65 -168.36 54.74 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.624 -1.39 . . . . 1.0 109.624 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -139.26 72.48 0.42 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.01 149.52 70.35 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.945 2.43 . . . . 1.0 112.141 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -138.06 159.18 25.03 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.62 -1.392 . . . . 1.0 109.62 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -144.92 166.06 26.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.317 -1.108 . . . . 1.0 109.546 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 11.0 p -127.94 173.52 9.95 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.25 -0.906 . . . . 1.0 109.982 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 73.9 mt -54.63 -26.11 30.86 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.423 -0.798 . . . . 1.0 109.554 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -66.91 -47.13 72.73 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.225 -0.922 . . . . 1.0 108.833 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -56.84 -36.68 70.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.4 -0.812 . . . . 1.0 109.59 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.08 -35.08 80.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.29 -0.881 . . . . 1.0 109.171 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.61 -36.63 79.05 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 107.063 -1.458 . . . . 1.0 107.063 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 676' ' ' ARG . 19.8 mtp-105 -73.65 -37.11 65.42 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 6.1 tt -69.8 -48.71 58.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.059 . . . . 1.0 108.643 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.58 -30.65 41.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 N-CA-C 107.763 -1.199 . . . . 1.0 107.763 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.58 -47.69 58.95 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.734 -0.839 . . . . 1.0 108.734 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 16.3 m -67.68 -42.56 81.89 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.246 -0.909 . . . . 1.0 109.107 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.67 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.1 t -59.62 -31.22 69.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.885 . . . . 1.0 110.259 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -75.13 -26.96 59.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.887 -1.133 . . . . 1.0 110.003 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.5 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.13 -0.981 . . . . 1.0 111.894 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.577 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 1.7 t -63.63 -49.38 77.46 Favored Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.772 -1.205 . . . . 1.0 112.515 -178.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.67 ' CD ' ' O ' ' A' ' 681' ' ' SER . 19.0 Cg_endo -64.05 -43.21 16.02 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 121.717 1.612 . . . . 1.0 112.456 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -66.24 -37.72 86.19 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.271 -1.011 . . . . 1.0 108.271 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -73.12 -32.13 64.73 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.786 -0.82 . . . . 1.0 108.786 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.597 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -59.56 -41.04 89.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.288 -0.882 . . . . 1.0 108.699 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -42.01 87.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.445 -0.784 . . . . 1.0 109.138 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.31 -42.08 99.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.842 . . . . 1.0 108.968 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 691' ' ' LEU . 2.6 mm? -60.95 -33.69 73.59 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.242 -1.021 . . . . 1.0 108.242 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.87 72.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.471 -0.937 . . . . 1.0 108.471 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 22.5 m -65.83 -39.94 91.3 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.402 -0.812 . . . . 1.0 109.337 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.491 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -65.08 -32.9 74.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.0 108.895 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 702' ' ' LEU . 3.2 mm? -61.24 -38.75 87.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.283 -0.886 . . . . 1.0 109.242 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -66.64 -44.64 81.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.199 -0.938 . . . . 1.0 110.645 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . 0.407 ' O ' HD13 ' A' ' 635' ' ' LEU . . . -62.07 -24.79 65.44 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.765 -1.334 . . . . 1.0 109.765 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.635 HD22 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -109.0 1.01 20.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.125 -1.221 . . . . 1.0 109.31 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.542 ' HB1' ' CD1' ' A' ' 554' ' ' LEU . . . -59.02 -29.36 67.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.336 -0.853 . . . . 1.0 109.555 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -49.11 77.18 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.184 -0.947 . . . . 1.0 109.713 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 90.6 mt -103.2 -13.94 16.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.211 -0.93 . . . . 1.0 111.204 -178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 695' ' ' LEU . 60.8 tp -66.75 -29.96 70.06 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.757 -1.214 . . . . 1.0 108.716 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.56 -88.11 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.63 -0.878 . . . . 1.0 108.63 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -173.14 105.98 0.14 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.459 -0.776 . . . . 1.0 109.438 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -67.09 143.48 56.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.901 . . . . 1.0 109.232 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 26.8 p -113.99 165.99 12.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 1.0 109.574 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -81.98 139.29 34.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 1.0 109.529 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 118.036 -0.983 . . . . 1.0 109.49 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.465 2.546 . . . . 1.0 119.465 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 97.3 p -63.31 -20.16 65.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -1.158 . . . . 1.0 109.408 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.09 -177.02 15.06 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.538 -1.425 . . . . 1.0 109.538 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -58.41 145.74 37.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -1.132 . . . . 1.0 109.607 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -128.53 83.88 64.83 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.292 -0.88 . . . . 1.0 109.194 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -82.06 158.04 17.89 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.426 2.084 . . . . 1.0 112.525 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.54 125.88 46.93 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.06 -0.718 . . . . 1.0 109.06 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.91 169.25 10.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 1.0 109.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.32 -43.2 74.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 1.0 110.339 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 555' ' ' GLU . 58.2 mp0 -63.09 -42.94 99.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 1.0 110.189 -178.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.482 ' O ' ' OG1' ' A' ' 560' ' ' THR . 70.8 t -71.45 -36.09 59.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 N-CA-C 107.817 -1.179 . . . . 1.0 107.817 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.2 -39.54 72.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.674 -0.641 . . . . 1.0 110.684 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 562' ' ' ALA . 1.8 m -69.65 -34.57 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.398 -1.439 . . . . 1.0 108.382 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -72.14 -51.26 22.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 1.0 108.845 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.1 OUTLIER -59.98 -49.31 78.19 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.395 -0.816 . . . . 1.0 110.127 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -67.29 -35.2 78.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.856 -1.152 . . . . 1.0 109.428 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 558' ' ' VAL . . . -65.12 -41.2 95.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 1.0 109.751 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -62.14 -31.75 72.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.099 -1.0 . . . . 1.0 109.492 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 568' ' ' VAL . 3.2 mp -67.09 -40.74 87.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.465 -0.772 . . . . 1.0 109.858 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.539 HE21 ' HB2' ' A' ' 692' ' ' ALA . 96.2 mt-30 -62.71 -32.02 73.04 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.362 -0.836 . . . . 1.0 109.594 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -77.87 -51.19 10.85 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.189 -0.944 . . . . 1.0 108.634 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 571' ' ' THR . . . -64.49 -33.88 88.42 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.212 -1.155 . . . . 1.0 110.212 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 564' ' ' LEU . 81.7 t -73.36 -48.66 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 120.903 -1.351 . . . . 1.0 108.808 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 25.3 m -66.91 -38.64 86.6 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.79 -0.818 . . . . 1.0 108.79 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 66.6 m -61.85 -43.49 98.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.51 -0.744 . . . . 1.0 109.865 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 567' ' ' GLY . 77.8 p -65.87 -35.57 81.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.144 -0.973 . . . . 1.0 109.721 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 568' ' ' VAL . 74.1 t -61.4 -36.83 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.166 -0.958 . . . . 1.0 109.224 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 577' ' ' ASP . . . -59.44 -38.12 79.88 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.134 -0.979 . . . . 1.0 108.561 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -55.78 -51.63 66.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.572 -0.705 . . . . 1.0 109.585 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.728 ' O ' HG22 ' A' ' 579' ' ' VAL . 6.7 tp -58.68 -49.67 76.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.365 -0.834 . . . . 1.0 109.371 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . 0.43 HD12 HG12 ' A' ' 572' ' ' VAL . 13.7 mt -65.49 -36.02 82.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.515 -0.741 . . . . 1.0 109.645 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 573' ' ' ALA . 54.2 t0 -72.76 -37.31 67.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.133 -0.979 . . . . 1.0 109.087 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.625 HD11 ' OD2' ' A' ' 601' ' ' ASP . 8.6 tp -69.82 -44.28 70.31 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.344 -0.847 . . . . 1.0 109.342 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 575' ' ' LEU . 27.4 m -81.11 -15.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.0 109.438 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -46.56 -37.48 8.75 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.561 -1.416 . . . . 1.0 109.561 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 582' ' ' ALA . 27.6 m -60.32 -35.58 75.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -1.172 . . . . 1.0 109.496 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 581' ' ' SER . . . 48.98 -175.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.216 -0.928 . . . . 1.0 109.491 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 23.7 t -59.56 -34.44 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.216 -0.927 . . . . 1.0 109.459 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 91.09 -167.66 31.88 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.509 -1.436 . . . . 1.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -52.95 153.16 15.97 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.741 2.294 . . . . 1.0 112.357 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 105.97 -47.63 1.04 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.607 -1.397 . . . . 1.0 109.607 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 61.56 -119.39 18.16 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.547 -1.421 . . . . 1.0 109.547 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -92.04 143.8 26.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.304 -1.115 . . . . 1.0 109.532 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -146.23 -86.52 0.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.178 -0.951 . . . . 1.0 109.411 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 13.7 p -110.23 12.46 23.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.27 -0.894 . . . . 1.0 109.586 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 2.9 m 46.83 39.77 7.89 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 1.0 109.512 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 34.5 t -108.65 144.72 36.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 1.0 109.435 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.77 68.33 2.69 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.173 -0.954 . . . . 1.0 109.483 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.77 -30.91 24.3 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.724 2.283 . . . . 1.0 112.359 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -111.85 123.5 50.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.89 . . . . 1.0 109.298 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.652 ' H ' ' CD ' ' A' ' 597' ' ' PRO . 1.7 tm-20 -106.84 -43.04 0.13 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 1.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.652 ' CD ' ' H ' ' A' ' 596' ' ' GLU . 3.3 Cg_endo -74.45 158.88 43.91 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.104 1.87 . . . . 1.0 112.84 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.26 125.38 16.2 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.926 1.751 . . . . 1.0 111.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 87.4 t -71.56 -37.97 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.402 -0.811 . . . . 1.0 109.915 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 601' ' ' ASP . 18.0 pt20 -56.66 -42.05 78.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.253 -0.904 . . . . 1.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.625 ' OD2' HD11 ' A' ' 578' ' ' LEU . 48.3 t0 -61.96 -39.24 91.45 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.326 -0.859 . . . . 1.0 109.575 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 606' ' ' VAL . 42.8 tp -67.05 -42.04 85.47 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.287 -0.883 . . . . 1.0 109.612 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -71.0 -31.49 68.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0 109.534 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -72.93 -46.43 52.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.161 -0.962 . . . . 1.0 110.025 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.76 81.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.12 -0.987 . . . . 1.0 110.089 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 602' ' ' LEU . 11.8 p -63.61 -36.4 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.066 -1.021 . . . . 1.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.32 -34.19 70.33 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.0 109.591 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.8 -45.21 71.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.0 109.866 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.582 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.71 -41.68 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.0 109.149 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.605 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 15.2 m80 -64.01 -41.83 97.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 1.0 109.123 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.29 -40.71 97.78 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.893 -1.283 . . . . 1.0 109.893 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.76 70.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.978 -1.307 . . . . 1.0 109.617 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.622 HG21 HG11 ' A' ' 684' ' ' VAL . 86.3 t -70.81 -47.16 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 1.0 108.836 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -54.7 -34.5 62.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.211 -0.93 . . . . 1.0 108.679 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -29.44 67.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.154 -0.966 . . . . 1.0 108.807 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 564' ' ' LEU . 16.1 tp -71.39 -43.94 65.9 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.027 -1.101 . . . . 1.0 108.027 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.449 HD23 ' OE2' ' A' ' 647' ' ' GLU . 1.0 OUTLIER -61.6 -34.43 75.62 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.177 -1.046 . . . . 1.0 108.177 178.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.52 -44.21 62.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.621 -0.675 . . . . 1.0 109.937 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.529 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -62.77 -46.48 87.82 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.862 -1.149 . . . . 1.0 108.205 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.25 -38.55 89.69 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -62.55 -46.54 87.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.685 -0.634 . . . . 1.0 109.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.8 t -58.78 -39.47 81.13 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.9 . . . . 1.0 109.095 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 702' ' ' LEU . . . -65.48 -36.93 85.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.455 -0.778 . . . . 1.0 109.716 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 620' ' ' ALA . 84.2 t -66.22 -42.85 91.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 1.0 109.616 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 23.3 t -60.18 -35.5 75.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -0.916 . . . . 1.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 40.4 t -85.4 8.95 17.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 1.0 109.26 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -77.79 124.97 28.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 1.0 109.447 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 37.7 m -138.63 128.18 24.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.207 -0.933 . . . . 1.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 630' ' ' THR . 53.7 t-80 -163.1 172.91 14.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 1.0 109.494 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.533 ' O ' ' ND1' ' A' ' 629' ' ' HIS . 15.9 p -116.35 166.43 12.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 1.0 109.472 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 632' ' ' ASP . 0.2 OUTLIER 48.87 20.24 0.34 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 1.0 109.522 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 631' ' ' SER . 91.4 m-20 52.62 173.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.266 -0.896 . . . . 1.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -143.21 142.56 31.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.287 -0.883 . . . . 1.0 109.447 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 57.8 p -63.02 -38.59 91.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 1.0 109.649 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 635' ' ' LEU . 10.1 mp -58.49 -45.5 88.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 1.0 109.564 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -63.24 -43.02 99.23 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.092 -1.005 . . . . 1.0 108.35 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.81 78.07 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.76 -0.83 . . . . 1.0 108.76 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -44.47 92.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.467 -0.771 . . . . 1.0 109.109 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.846 HD22 HD22 ' A' ' 698' ' ' ASN . 62.1 tp -59.27 -46.99 87.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.0 109.709 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 13.5 t -61.91 -46.92 87.24 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.206 -0.934 . . . . 1.0 109.994 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -61.5 -47.2 86.7 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.448 -0.782 . . . . 1.0 110.335 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.58 -43.25 66.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.054 -1.029 . . . . 1.0 109.929 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.18 -43.35 78.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.244 -0.91 . . . . 1.0 109.777 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.9 -32.02 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.053 -1.029 . . . . 1.0 108.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 649' ' ' VAL . 29.0 ttpt -64.0 -40.19 95.81 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 107.914 -1.143 . . . . 1.0 107.914 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.683 ' HG3' HD11 ' A' ' 691' ' ' LEU . 92.8 mmm -66.74 -38.14 86.04 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.193 -1.039 . . . . 1.0 108.193 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.449 ' OE2' HD23 ' A' ' 617' ' ' LEU . 50.3 mm-40 -60.59 -50.76 72.23 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.915 -0.772 . . . . 1.0 108.915 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.41 -41.85 88.67 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.158 -0.617 . . . . 1.0 109.401 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 645' ' ' LYS . 77.1 t -69.44 -41.62 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 1.0 110.282 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.605 ' OH ' ' O ' ' A' ' 610' ' ' HIS . 19.8 t80 -58.47 -36.61 73.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.936 -1.103 . . . . 1.0 109.736 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.98 -32.82 71.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 1.0 109.133 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 63.7 m -65.91 -37.02 84.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.198 -0.939 . . . . 1.0 109.126 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.682 HD13 ' SG ' ' A' ' 680' ' ' CYS . 83.4 mt -70.61 -34.59 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.342 -0.849 . . . . 1.0 109.432 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 658' ' ' GLN . 75.2 t -59.17 -42.7 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 1.0 109.647 -179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 659' ' ' VAL . 55.4 t -67.76 -43.16 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.039 -1.038 . . . . 1.0 108.528 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -63.85 -37.11 86.16 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.551 -1.277 . . . . 1.0 107.551 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -75.56 -41.86 28.52 Favored Glycine 0 N--CA 1.486 2.031 0 N-CA-C 109.501 -1.44 . . . . 1.0 109.501 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 654' ' ' VAL . 5.7 mm-40 -55.06 -22.1 14.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.178 -1.189 . . . . 1.0 109.597 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 655' ' ' VAL . 74.8 t -61.53 -31.65 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 1.0 110.027 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 669' ' ' PHE . 95.3 mt -53.27 -34.8 58.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.1 -1.0 . . . . 1.0 109.608 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -75.93 87.3 2.89 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.288 -0.882 . . . . 1.0 109.731 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 664' ' ' ARG . 87.0 p -64.25 -32.14 73.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.332 -0.855 . . . . 1.0 109.624 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 64.36 -7.68 0.56 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' A' ' 662' ' ' SER . 83.0 mtp180 -143.9 149.13 36.4 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.175 -1.191 . . . . 1.0 109.538 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -54.22 -9.39 1.45 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.454 -1.458 . . . . 1.0 109.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 664' ' ' ARG . . . -47.69 167.14 0.12 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.627 -1.389 . . . . 1.0 109.627 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.34 -25.71 74.09 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.964 2.443 . . . . 1.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 63.96 -96.59 0.2 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.381 -1.487 . . . . 1.0 109.381 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.433 ' CE2' HD23 ' A' ' 660' ' ' LEU . 52.2 p90 -133.21 168.55 18.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -1.168 . . . . 1.0 109.585 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 27.4 p -116.15 175.41 5.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.126 -0.984 . . . . 1.0 109.78 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.88 -25.54 43.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.416 -0.802 . . . . 1.0 109.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.0 -47.62 83.96 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.33 -0.856 . . . . 1.0 109.178 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.21 -32.89 64.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.305 -0.872 . . . . 1.0 109.67 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' A' ' 678' ' ' VAL . 6.1 tp -62.73 -39.4 93.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.155 -0.966 . . . . 1.0 109.255 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.36 -36.02 74.97 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.251 -1.389 . . . . 1.0 107.251 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -71.07 -41.39 70.78 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.815 -0.553 . . . . 1.0 109.569 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.67 -48.29 55.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.972 -1.08 . . . . 1.0 109.035 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.427 HG23 ' HG ' ' A' ' 674' ' ' LEU . 53.0 t -56.6 -32.18 36.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.047 -1.094 . . . . 1.0 108.047 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 682' ' ' ARG . . . -71.1 -31.82 68.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.934 -0.765 . . . . 1.0 108.934 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 653' ' ' LEU . 0.0 OUTLIER -79.92 -41.93 25.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.314 -0.866 . . . . 1.0 109.391 179.341 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.666 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 23.0 t -56.42 -35.15 67.5 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.27 -0.893 . . . . 1.0 110.492 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 679' ' ' ALA . 1.9 ptt180 -78.82 -29.03 44.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.743 -1.223 . . . . 1.0 110.224 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.75 64.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.053 -1.029 . . . . 1.0 111.35 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 613' ' ' VAL . 0.9 OUTLIER -65.81 -48.66 62.27 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.024 -1.048 . . . . 1.0 112.406 -177.079 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.666 ' CD ' ' O ' ' A' ' 681' ' ' SER . 11.2 Cg_exo -68.32 -43.38 4.47 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 121.89 1.727 . . . . 1.0 112.872 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 690' ' ' GLN . 0.4 OUTLIER -61.46 -37.18 82.65 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.891 -1.131 . . . . 1.0 108.199 179.644 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.54 -30.89 61.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.666 -0.646 . . . . 1.0 109.285 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.474 ' HB1' ' CD2' ' A' ' 616' ' ' LEU . . . -59.53 -41.16 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.14 -0.975 . . . . 1.0 108.503 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 692' ' ' ALA . 17.3 mtmt -65.1 -38.03 89.41 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 686' ' ' GLU . 70.4 mt-30 -60.11 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.687 -0.857 . . . . 1.0 108.687 179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.683 HD11 ' HG3' ' A' ' 646' ' ' MET . 95.4 mt -58.99 -35.29 72.98 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.539 ' HB2' HE21 ' A' ' 565' ' ' GLN . . . -58.64 -41.04 85.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.644 -0.66 . . . . 1.0 109.91 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 36.8 t -71.53 -43.69 65.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.981 . . . . 1.0 110.072 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.582 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 3.1 m-85 -69.09 -37.02 78.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.103 -0.998 . . . . 1.0 108.79 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 699' ' ' ALA . 3.0 tp -65.68 -36.19 82.93 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.829 -1.175 . . . . 1.0 107.829 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -71.01 -38.06 72.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.53 -0.731 . . . . 1.0 109.367 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 635' ' ' LEU . . . -62.07 -25.05 65.75 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.869 -1.692 . . . . 1.0 108.869 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.846 HD22 HD22 ' A' ' 639' ' ' LEU . 0.0 OUTLIER -120.69 0.57 10.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.417 -1.049 . . . . 1.0 109.521 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -51.23 -37.68 48.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.182 -0.949 . . . . 1.0 109.401 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 34.0 m -51.98 -35.6 46.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.259 -0.901 . . . . 1.0 109.777 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 701' ' ' LEU . 8.5 mp -90.07 -38.61 13.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.134 -0.979 . . . . 1.0 110.607 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 623' ' ' ALA . 78.6 mt -52.21 -32.95 38.91 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.028 -1.101 . . . . 1.0 108.028 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -117.12 -72.82 0.67 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 63.95 1.2 1.09 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 1.0 109.847 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 67.4 mmt-85 -56.78 -30.68 63.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 1.0 109.295 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 41.3 p -53.04 135.73 36.58 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 1.0 109.504 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? 52.21 42.81 30.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.0 109.493 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 117.983 -1.008 . . . . 1.0 109.47 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.835 0 N-CA-C 119.439 2.536 . . . . 1.0 119.439 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 86.9 p -62.67 -25.7 68.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.275 -1.132 . . . . 1.0 109.487 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . 98.46 130.36 6.8 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.544 -1.422 . . . . 1.0 109.544 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.23 -34.77 68.92 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -1.173 . . . . 1.0 109.373 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 49.38 80.16 0.31 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.331 -0.856 . . . . 1.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -80.55 145.25 16.35 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.817 2.344 . . . . 1.0 112.37 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 57.4 mt -109.44 151.71 26.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 1.0 109.174 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -100.44 165.17 11.57 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.325 -0.86 . . . . 1.0 108.919 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 699' ' ' ALA . 23.0 tp -57.19 -45.28 83.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.29 -0.881 . . . . 1.0 109.57 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 559' ' ' GLU . 97.3 mt-10 -66.13 -46.83 76.14 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 1.0 110.295 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.503 ' O ' ' OG1' ' A' ' 560' ' ' THR . 78.2 t -67.33 -49.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 120.751 -1.218 . . . . 1.0 108.546 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.57 66.73 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.604 -0.685 . . . . 1.0 110.413 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 559' ' ' GLU . 0.9 OUTLIER -63.59 -45.11 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.634 -1.291 . . . . 1.0 108.81 -179.266 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 555' ' ' GLU . 0.5 OUTLIER -73.54 -46.74 45.8 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.464 -0.773 . . . . 1.0 110.366 -179.018 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.67 -41.27 88.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.953 -1.092 . . . . 1.0 110.691 -178.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.64 -31.96 72.08 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.583 -1.323 . . . . 1.0 108.188 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.7 78.33 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.627 -0.67 . . . . 1.0 109.509 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -66.14 -33.94 76.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 1.0 109.238 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' A' ' 616' ' ' LEU . 2.3 mp -64.7 -42.15 95.5 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.39 -0.819 . . . . 1.0 109.8 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.9 -33.28 73.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.353 -0.842 . . . . 1.0 110.68 -178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -78.77 -45.39 21.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.84 -1.163 . . . . 1.0 108.415 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.63 -32.4 83.25 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.441 -1.463 . . . . 1.0 109.441 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 564' ' ' LEU . 64.3 t -71.15 -48.52 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.304 . . . . 1.0 108.537 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 85.4 p -66.21 -37.02 84.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.166 -0.959 . . . . 1.0 108.754 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 61.7 m -62.79 -42.57 99.76 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.611 -0.681 . . . . 1.0 110.315 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 609' ' ' VAL . 18.1 p -68.0 -36.88 80.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.103 -0.998 . . . . 1.0 110.519 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.61 HG21 ' HG3' ' A' ' 685' ' ' PRO . 97.9 t -69.3 -35.83 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 120.948 -1.095 . . . . 1.0 109.36 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.88 82.69 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.097 -1.002 . . . . 1.0 108.543 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -58.24 -49.76 75.97 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.647 -0.658 . . . . 1.0 109.762 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.4 tp -58.04 -49.22 77.64 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.274 -0.891 . . . . 1.0 109.334 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.97 -41.57 70.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.446 -0.784 . . . . 1.0 109.336 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.92 -43.32 94.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.301 -0.874 . . . . 1.0 109.055 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.39 -41.13 94.02 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 1.0 109.458 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 575' ' ' LEU . 79.7 t -65.27 -41.8 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.0 109.652 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 581' ' ' SER . . . 60.33 33.66 81.63 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.699 -1.36 . . . . 1.0 109.699 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 580' ' ' GLY . 0.5 OUTLIER 69.05 18.79 8.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -1.16 . . . . 1.0 109.381 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.487 ' H ' HG12 ' A' ' 579' ' ' VAL . . . 47.32 -124.59 1.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 1.0 109.497 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 582' ' ' ALA . 3.6 m 47.1 93.64 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.31 -0.869 . . . . 1.0 109.496 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -69.07 167.04 46.81 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.56 -17.42 58.24 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.829 2.353 . . . . 1.0 112.181 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 588' ' ' TRP . . . -54.0 156.47 6.45 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 588' ' ' TRP . . . -74.45 32.06 0.99 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.514 -1.434 . . . . 1.0 109.514 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' A' ' 586' ' ' GLY . 0.0 OUTLIER 53.11 176.93 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.213 -1.169 . . . . 1.0 109.457 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 57.55 46.87 17.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 1.0 109.455 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 47.0 m -124.44 148.58 47.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 1.0 109.509 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.439 ' O ' ' O ' ' A' ' 592' ' ' SER . 29.0 p -82.25 161.02 22.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.263 -0.898 . . . . 1.0 109.484 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 591' ' ' THR . 0.5 OUTLIER 53.92 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 1.0 109.408 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -133.16 60.93 52.32 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 1.0 109.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -72.72 153.74 54.01 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.696 2.264 . . . . 1.0 112.164 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.01 142.96 53.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 1.0 109.427 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 597' ' ' PRO . 2.3 mt-10 -109.71 -43.29 0.11 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.236 -0.915 . . . . 1.0 110.742 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.566 ' CD ' ' H ' ' A' ' 596' ' ' GLU . 14.1 Cg_exo -65.0 141.49 70.69 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.951 1.767 . . . . 1.0 111.678 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -40.7 124.77 1.96 Allowed 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.513 2.142 . . . . 1.0 112.212 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 72.1 t -69.65 -34.06 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.928 . . . . 1.0 109.688 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -56.06 -37.17 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.195 -0.941 . . . . 1.0 109.334 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.54 -38.74 91.21 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.295 -0.878 . . . . 1.0 109.216 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 660' ' ' LEU . 29.6 tp -69.55 -43.43 72.97 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.32 -0.862 . . . . 1.0 108.934 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -61.85 -33.75 74.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.463 -0.773 . . . . 1.0 109.457 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.56 73.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.329 -0.857 . . . . 1.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.28 73.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.106 -0.996 . . . . 1.0 110.22 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.35 -36.38 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.042 -1.036 . . . . 1.0 109.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.93 76.9 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.91 . . . . 1.0 109.424 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.04 72.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.289 -0.882 . . . . 1.0 110.049 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 571' ' ' THR . 0.3 OUTLIER -61.19 -42.36 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.0 109.845 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.512 ' O ' ' ND1' ' A' ' 614' ' ' HIS . 24.1 m-70 -60.34 -40.5 90.92 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.938 -1.101 . . . . 1.0 109.074 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.85 -45.92 40.45 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 110.142 -1.183 . . . . 1.0 110.142 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.63 -39.47 77.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.333 . . . . 1.0 109.732 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.829 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.9 p -66.14 -45.51 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.074 -1.016 . . . . 1.0 109.117 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.571 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 12.2 m80 -53.35 -33.67 54.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 1.0 108.792 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 77.0 mm-40 -62.11 -32.32 72.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.699 ' HA ' HD23 ' A' ' 564' ' ' LEU . 6.9 tp -67.36 -43.54 81.2 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.357 -0.979 . . . . 1.0 108.357 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.939 HD13 ' CE2' ' A' ' 650' ' ' TYR . 0.8 OUTLIER -69.47 -35.91 76.06 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 -179.701 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -70.44 -42.09 72.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.094 -1.004 . . . . 1.0 109.788 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.604 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.3 m-85 -66.47 -44.77 81.82 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.764 -1.21 . . . . 1.0 108.312 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.221 -1.4 . . . . 1.0 107.221 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -69.41 -45.58 68.86 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.078 -1.082 . . . . 1.0 108.078 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.0 t -58.03 -46.59 85.09 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.631 -1.248 . . . . 1.0 107.631 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.74 85.06 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.774 -0.578 . . . . 1.0 110.192 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 620' ' ' ALA . 74.6 t -62.47 -39.15 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.176 -0.952 . . . . 1.0 109.576 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 20.5 m -57.59 -36.8 72.21 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.987 -1.07 . . . . 1.0 109.077 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 50.5 m -60.9 -35.27 76.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.347 -0.982 . . . . 1.0 108.347 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -66.33 129.18 38.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.349 -0.844 . . . . 1.0 109.331 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.15 33.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.204 -0.935 . . . . 1.0 109.816 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 630' ' ' THR . 52.9 t-80 -123.52 144.04 49.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.917 . . . . 1.0 109.726 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.568 HG23 ' NH2' ' A' ' 633' ' ' ARG . 89.6 m -76.66 130.95 38.51 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.355 -0.841 . . . . 1.0 110.239 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 8.2 t -172.29 -129.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.271 -0.893 . . . . 1.0 109.266 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -72.37 87.84 1.17 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.239 -0.913 . . . . 1.0 109.315 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . 0.568 ' NH2' HG23 ' A' ' 630' ' ' THR . 87.9 mtt-85 -59.27 -22.36 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.261 -0.9 . . . . 1.0 109.568 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -40.03 86.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.0 109.656 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.16 -49.21 76.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.236 -0.915 . . . . 1.0 109.137 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -63.6 -41.43 98.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 1.0 108.752 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.35 -49.66 76.98 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.372 -0.83 . . . . 1.0 108.835 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.63 92.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.445 -0.784 . . . . 1.0 109.156 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.8 -47.37 69.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 1.0 109.804 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 20.5 t -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.369 -0.832 . . . . 1.0 110.155 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -59.87 -46.27 89.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.121 -0.987 . . . . 1.0 110.196 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -72.7 -41.2 65.53 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.027 -1.046 . . . . 1.0 110.434 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 643' ' ' LEU . 1.9 tt -58.48 -45.62 88.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.112 -0.993 . . . . 1.0 109.97 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -32.31 72.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.0 110.519 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -32.05 73.03 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.775 -1.203 . . . . 1.0 108.059 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 617' ' ' LEU . 43.7 mmm -68.57 -38.6 80.84 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.485 -0.931 . . . . 1.0 108.485 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.437 ' OE2' HD23 ' A' ' 617' ' ' LEU . 63.3 mm-40 -59.77 -49.6 77.08 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.88 -41.77 82.25 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 120.12 -0.632 . . . . 1.0 109.36 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.68 -40.36 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.29 -0.881 . . . . 1.0 109.876 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.939 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.3 m-85 -58.5 -43.17 88.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 1.0 109.831 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -69.93 -36.11 75.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.032 -1.042 . . . . 1.0 109.115 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 30.5 m -57.4 -41.1 79.66 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.283 -0.885 . . . . 1.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.73 -36.4 83.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 1.0 109.706 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.23 -43.98 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.347 -0.846 . . . . 1.0 109.508 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.807 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.0 t -64.33 -46.23 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.047 -1.033 . . . . 1.0 108.409 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . 0.477 ' HB3' HD11 ' A' ' 677' ' ' LEU . 54.0 m-70 -58.73 -38.15 77.75 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.759 -1.201 . . . . 1.0 107.759 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -74.41 -49.11 12.35 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.378 -1.489 . . . . 1.0 109.378 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -55.92 -28.11 55.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.129 -1.218 . . . . 1.0 109.476 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 655' ' ' VAL . 79.6 t -63.53 -36.43 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 1.0 109.687 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.645 HD11 HD23 ' A' ' 602' ' ' LEU . 4.0 tt -54.91 -38.09 67.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 1.0 109.516 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -56.98 -35.96 69.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.84 . . . . 1.0 109.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 28.7 t -56.49 -31.12 63.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 1.0 109.39 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -55.08 -26.96 44.03 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.523 -1.431 . . . . 1.0 109.523 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -63.06 141.64 58.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -1.095 . . . . 1.0 109.528 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 78.97 -64.79 3.64 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.546 -1.422 . . . . 1.0 109.546 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -132.46 167.09 23.2 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.583 -1.407 . . . . 1.0 109.583 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.15 142.11 72.47 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.024 2.483 . . . . 1.0 112.313 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -142.99 -32.95 0.1 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.626 -1.39 . . . . 1.0 109.626 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -143.26 165.53 27.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -1.102 . . . . 1.0 109.327 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 12.0 p -132.15 -178.26 4.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.159 -0.963 . . . . 1.0 110.006 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 66.9 mt -54.69 -24.77 23.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.366 -0.834 . . . . 1.0 109.693 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -65.87 -46.72 77.38 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.203 -0.936 . . . . 1.0 109.083 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.06 -38.87 73.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.373 -0.829 . . . . 1.0 109.629 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.49 -35.65 74.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 1.0 109.357 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -59.99 -34.92 73.97 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.258 -1.386 . . . . 1.0 107.258 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -71.65 -43.84 65.37 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 656' ' ' HIS . 10.7 mp -70.71 -47.58 59.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.952 -1.092 . . . . 1.0 108.798 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.02 -31.65 37.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 107.681 -1.229 . . . . 1.0 107.681 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.48 -47.52 48.0 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.518 -0.919 . . . . 1.0 108.518 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.08 -41.59 90.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 1.0 108.923 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.578 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 22.4 t -56.78 -32.88 66.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 1.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -72.11 -25.32 61.69 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.99 -1.069 . . . . 1.0 109.039 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.66 74.97 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.381 -0.825 . . . . 1.0 111.394 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.455 HG11 HG21 ' A' ' 613' ' ' VAL . 0.1 OUTLIER -62.78 -51.32 72.63 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.776 -1.202 . . . . 1.0 112.296 -177.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.61 ' HG3' HG21 ' A' ' 572' ' ' VAL . 24.3 Cg_exo -60.01 -44.28 30.86 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.98 1.787 . . . . 1.0 112.706 178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.32 -40.54 93.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.031 -1.043 . . . . 1.0 108.454 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.38 -35.66 65.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.571 -0.706 . . . . 1.0 110.304 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.52 98.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.002 -1.061 . . . . 1.0 109.312 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -65.76 -41.89 91.54 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.17 -0.956 . . . . 1.0 109.427 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.26 -45.14 85.75 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.309 -0.869 . . . . 1.0 110.007 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 8.8 tp -59.32 -33.42 71.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.0 -1.062 . . . . 1.0 109.094 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.3 74.14 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.097 -1.075 . . . . 1.0 108.097 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 15.2 m -66.0 -41.09 91.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.543 -0.723 . . . . 1.0 109.503 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.07 -37.22 86.65 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.174 -0.954 . . . . 1.0 108.639 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.1 mp -60.01 -35.92 76.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 118.731 -1.187 . . . . 1.0 109.762 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 4.4 t60 -66.84 -37.66 84.9 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.974 -1.079 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . 0.417 ' C ' HD22 ' A' ' 698' ' ' ASN . . . -69.7 -16.2 71.85 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 106.404 -2.678 . . . . 1.0 106.404 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.707 ' N ' HD22 ' A' ' 698' ' ' ASN . 0.8 OUTLIER -111.58 -1.66 15.71 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.747 0.784 . . . . 1.0 110.262 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.33 -22.12 17.83 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.735 0.779 . . . . 1.0 112.302 -178.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 701' ' ' LEU . 22.8 t -83.63 -42.27 16.87 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 106.609 -1.626 . . . . 1.0 106.609 -176.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 701' ' ' LEU . 7.3 mp -98.44 -18.6 18.16 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.4 -1.438 . . . . 1.0 109.434 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 703' ' ' PHE . 47.8 tp -66.24 -32.14 73.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 1.0 111.504 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 702' ' ' LEU . 85.1 m-85 -118.69 -66.77 1.04 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.904 -1.123 . . . . 1.0 110.442 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -70.03 80.82 0.49 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.235 -1.024 . . . . 1.0 108.235 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -45.18 -38.22 5.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 1.0 110.066 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 1.7 t -174.9 -27.47 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -0.862 . . . . 1.0 109.485 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -76.41 132.68 39.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 1.0 109.67 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 118.033 -0.985 . . . . 1.0 109.465 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 547' ' ' SER . . . . . . . . 1 N--CA 1.529 4.841 0 N-CA-C 119.411 2.524 . . . . 1.0 119.411 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.445 ' O ' ' O ' ' A' ' 546' ' ' GLY . 0.4 OUTLIER 54.27 170.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -1.16 . . . . 1.0 109.464 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -80.75 149.77 30.34 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -94.89 -138.97 0.23 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -1.137 . . . . 1.0 109.56 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 157.68 50.06 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.249 -0.907 . . . . 1.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.65 -92.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.182 1.921 . . . . 1.0 111.918 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 90.8 mt -130.17 134.48 47.33 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.336 -0.852 . . . . 1.0 109.222 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 556' ' ' VAL . 5.9 pt-20 -111.85 168.33 9.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.248 -0.908 . . . . 1.0 109.116 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 554' ' ' LEU . 3.5 mp -56.07 -42.58 76.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.345 -0.847 . . . . 1.0 110.055 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -62.45 -42.0 99.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.944 -1.098 . . . . 1.0 110.068 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.446 ' H ' ' HG3' ' A' ' 553' ' ' GLU . 65.7 t -69.8 -44.41 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 120.819 -1.175 . . . . 1.0 108.18 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 703' ' ' PHE . . . -60.49 -41.24 93.87 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.44 -0.787 . . . . 1.0 109.47 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -39.72 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.972 -1.08 . . . . 1.0 109.161 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' A' ' 563' ' ' ARG . 3.7 tt0 -72.13 -50.47 27.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.0 110.146 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.499 ' OG1' ' CE2' ' A' ' 619' ' ' PHE . 1.6 t -60.86 -42.53 98.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.854 -1.154 . . . . 1.0 109.617 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 560' ' ' THR . 5.0 tp -71.22 -39.68 71.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.856 -1.152 . . . . 1.0 109.113 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.83 93.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.369 -0.832 . . . . 1.0 109.234 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.513 ' NH2' ' OE2' ' A' ' 559' ' ' GLU . 95.8 mtt180 -61.32 -35.44 77.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.26 -0.9 . . . . 1.0 109.119 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 568' ' ' VAL . 5.6 mp -71.67 -41.55 68.58 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.442 -0.786 . . . . 1.0 109.474 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.41 -31.52 70.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.364 -0.835 . . . . 1.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -78.83 -47.17 17.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.045 -1.034 . . . . 1.0 108.433 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . . . . . . . . . . . -62.55 -33.4 86.39 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.666 -1.374 . . . . 1.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 564' ' ' LEU . 78.8 t -72.02 -47.88 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.054 -1.263 . . . . 1.0 108.973 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 82.1 p -66.02 -37.66 86.45 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.14 -0.975 . . . . 1.0 108.489 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 88.2 m -62.46 -42.32 99.39 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.687 -0.633 . . . . 1.0 110.14 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.6 ' OG1' HG23 ' A' ' 609' ' ' VAL . 16.4 p -67.91 -34.09 75.96 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 1.0 110.753 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.777 HG13 ' OG ' ' A' ' 681' ' ' SER . 53.3 t -72.98 -35.54 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.618 -1.301 . . . . 1.0 109.17 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.6 83.64 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.015 -1.106 . . . . 1.0 108.015 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 574' ' ' HIS . 12.5 t60 -57.17 -50.61 72.31 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 1.0 109.288 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 579' ' ' VAL . 56.2 tp -57.52 -48.25 79.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.913 . . . . 1.0 109.339 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 3.7 mt -66.5 -39.08 88.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 1.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -62.6 -40.7 97.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.375 -0.828 . . . . 1.0 109.511 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.449 HD11 ' OD2' ' A' ' 601' ' ' ASP . 6.4 tp -64.83 -36.25 83.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.321 -0.862 . . . . 1.0 109.545 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 582' ' ' ALA . 72.0 t -60.91 -32.12 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 1.0 109.554 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 582' ' ' ALA . . . -44.57 125.74 6.3 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 583' ' ' SER . 0.4 OUTLIER 72.6 -22.32 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -1.192 . . . . 1.0 109.591 -179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 580' ' ' GLY . . . 48.72 13.21 0.05 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.193 -0.942 . . . . 1.0 109.425 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 581' ' ' SER . 34.8 t -133.69 146.73 51.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 1.0 109.533 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -139.47 -173.52 13.17 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.599 -1.4 . . . . 1.0 109.599 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.74 140.9 28.95 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.922 2.415 . . . . 1.0 112.287 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -170.37 -127.97 0.98 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 91.81 -53.82 2.98 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -101.91 141.26 35.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.258 -1.142 . . . . 1.0 109.51 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 46.58 32.0 1.53 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 1.0 109.415 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 12.7 t -136.83 20.59 3.06 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 1.0 109.585 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 71.8 p -72.6 -10.74 60.15 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 1.0 109.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.3 t -100.07 137.4 38.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.885 . . . . 1.0 109.61 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.89 76.42 70.63 Favored Pre-proline 0 N--CA 1.494 1.775 0 O-C-N 121.164 -0.96 . . . . 1.0 109.787 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.82 -60.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.185 1.923 . . . . 1.0 112.455 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . 0.531 ' OE1' ' N ' ' A' ' 669' ' ' PHE . 2.8 pt20 -170.04 101.38 0.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.14 -0.975 . . . . 1.0 109.683 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 48.16 79.81 0.33 Allowed Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.279 -0.888 . . . . 1.0 109.924 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.433 ' N ' ' CD ' ' A' ' 598' ' ' PRO . 15.0 Cg_exo -55.35 -43.23 60.49 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.107 1.871 . . . . 1.0 113.558 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 597' ' ' PRO . 96.3 Cg_endo -84.26 78.21 2.95 Favored 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 121.812 1.674 . . . . 1.0 112.019 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.61 -36.03 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.357 -0.84 . . . . 1.0 110.051 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -58.78 -41.45 86.69 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.141 -0.974 . . . . 1.0 109.452 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.449 ' OD2' HD11 ' A' ' 578' ' ' LEU . 54.2 t0 -63.15 -47.27 83.4 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.271 -0.893 . . . . 1.0 109.415 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -43.68 59.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.363 -0.836 . . . . 1.0 109.25 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -59.25 -34.2 71.94 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.455 -0.778 . . . . 1.0 109.533 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.75 -32.95 70.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.317 -0.864 . . . . 1.0 110.098 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -68.88 -47.52 65.67 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.141 -0.974 . . . . 1.0 110.308 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 607' ' ' ALA . 2.5 m -70.12 -35.87 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.819 -1.176 . . . . 1.0 109.32 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 606' ' ' VAL . . . -66.61 -39.91 88.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.225 -0.922 . . . . 1.0 109.048 179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.57 29.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 1.0 110.412 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.6 HG23 ' OG1' ' A' ' 571' ' ' THR . 2.4 p -62.43 -41.6 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.989 -1.07 . . . . 1.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.533 ' O ' HG12 ' A' ' 613' ' ' VAL . 61.2 t60 -67.39 -31.94 72.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.374 -0.829 . . . . 1.0 109.971 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 615' ' ' GLU . . . -71.7 -45.32 45.17 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.937 -1.265 . . . . 1.0 109.937 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -70.38 -39.12 74.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.927 -1.337 . . . . 1.0 109.52 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.821 HG22 ' CE2' ' A' ' 650' ' ' TYR . 1.3 p -63.47 -44.09 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 1.0 108.998 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.57 ' N ' ' CG1' ' A' ' 613' ' ' VAL . 0.7 OUTLIER -52.79 -29.62 28.53 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.211 -0.93 . . . . 1.0 108.569 177.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 611' ' ' GLY . 59.3 mm-40 -64.12 -28.12 69.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.197 -0.939 . . . . 1.0 109.091 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.4 -38.78 88.27 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.594 -1.261 . . . . 1.0 107.594 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.617 HD11 ' CD2' ' A' ' 650' ' ' TYR . 66.8 mt -59.66 -46.9 87.65 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.948 -1.13 . . . . 1.0 107.948 178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -72.44 -45.71 58.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.337 -0.852 . . . . 1.0 109.441 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.99 -46.74 83.22 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.203 -0.936 . . . . 1.0 108.632 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.71 92.03 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.238 -1.023 . . . . 1.0 108.238 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 621' ' ' ARG . 0.0 OUTLIER -62.3 -39.9 94.5 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.574 -0.704 . . . . 1.0 109.747 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 20.8 p -57.5 -41.17 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 1.0 108.894 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.526 ' HB1' HD13 ' A' ' 702' ' ' LEU . . . -63.26 -43.85 96.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.395 -0.816 . . . . 1.0 109.675 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.439 HG21 HD22 ' A' ' 643' ' ' LEU . 91.2 t -65.71 -41.55 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.933 . . . . 1.0 109.683 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 83.4 p -60.94 -29.8 69.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 1.0 109.594 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 75.2 m -84.18 1.96 41.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 1.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 629' ' ' HIS . . . -71.71 -7.52 48.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.917 . . . . 1.0 109.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 627' ' ' ALA . 1.0 OUTLIER 49.3 -88.68 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 1.0 109.58 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.566 ' N ' ' O ' ' A' ' 627' ' ' ALA . 78.1 m80 -86.26 139.27 31.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 1.0 109.49 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 632' ' ' ASP . 30.8 p -105.25 166.2 10.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.0 109.462 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.65 0.61 0.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.198 -0.939 . . . . 1.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 630' ' ' THR . 22.3 t70 -55.74 -36.88 67.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 1.0 109.436 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.78 154.54 51.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.243 -0.91 . . . . 1.0 109.454 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 38.9 m -60.08 -37.53 80.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.729 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.43 -40.51 78.52 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.907 . . . . 1.0 109.423 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -63.52 -44.95 92.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.076 -1.015 . . . . 1.0 108.57 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.06 78.02 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.416 -0.803 . . . . 1.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -38.25 79.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.377 -0.827 . . . . 1.0 109.601 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.12 -47.16 86.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.388 -0.82 . . . . 1.0 109.398 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.3 p -60.63 -41.88 95.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 1.0 109.382 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -64.22 -45.3 88.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 1.0 110.08 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.621 ' CD ' ' HZ1' ' A' ' 645' ' ' LYS . 99.5 mm-40 -73.59 -28.8 62.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.128 -0.982 . . . . 1.0 109.993 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.439 HD22 HG21 ' A' ' 624' ' ' VAL . 7.7 tp -67.21 -50.68 59.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.32 -0.862 . . . . 1.0 110.079 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -62.46 -39.0 91.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.0 109.6 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 649' ' ' VAL . 7.2 ttpm? -64.9 -31.99 73.48 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.778 -1.193 . . . . 1.0 107.778 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 650' ' ' TYR . 6.1 tpt -68.43 -36.69 79.42 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.609 -0.886 . . . . 1.0 108.609 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.528 ' OE1' HD13 ' A' ' 617' ' ' LEU . 42.8 mm-40 -67.42 -50.79 57.9 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.604 0.716 . . . . 1.0 109.126 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -58.44 -41.17 84.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.276 -0.638 . . . . 1.0 109.276 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 645' ' ' LYS . 90.0 t -63.0 -36.54 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.796 . . . . 1.0 110.18 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.821 ' CE2' HG22 ' A' ' 613' ' ' VAL . 3.4 m-30 -62.46 -35.97 80.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.07 -1.019 . . . . 1.0 109.996 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -67.68 -35.17 78.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.94 -1.1 . . . . 1.0 109.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 57.7 m -59.69 -38.84 82.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -0.949 . . . . 1.0 109.395 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.509 HD22 ' SG ' ' A' ' 680' ' ' CYS . 26.2 mt -67.54 -37.59 82.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.89 . . . . 1.0 109.684 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 87.2 t -61.26 -43.54 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.122 -0.986 . . . . 1.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 659' ' ' VAL . 71.7 t -63.35 -46.94 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.107 -0.996 . . . . 1.0 108.442 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -58.11 -40.17 80.53 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -73.84 -41.01 43.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.427 -1.469 . . . . 1.0 109.427 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -54.94 -21.02 10.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.236 . . . . 1.0 109.603 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 655' ' ' VAL . 91.4 t -62.62 -35.9 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.151 -0.968 . . . . 1.0 109.743 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 660' ' ' LEU . 3.8 mp -55.26 -33.32 63.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 1.0 109.308 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 662' ' ' SER . 60.6 t0 -84.88 -122.81 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 1.0 109.565 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 661' ' ' ASP . 6.8 t 58.03 158.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -0.913 . . . . 1.0 109.378 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -88.4 -174.06 47.32 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -71.04 141.6 50.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.162 -1.199 . . . . 1.0 109.504 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -164.27 -179.95 38.75 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -46.99 -72.12 0.45 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.459 -1.456 . . . . 1.0 109.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -60.18 150.18 80.96 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.009 2.473 . . . . 1.0 112.329 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -145.46 -173.28 16.58 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.777 -1.329 . . . . 1.0 109.777 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.531 ' N ' ' OE1' ' A' ' 595' ' ' GLN . 0.5 OUTLIER -95.75 134.38 38.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.184 -1.186 . . . . 1.0 109.531 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 8.4 p -135.17 167.46 20.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 1.0 109.675 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . . . . . . . . . 69.5 mt -54.39 -23.98 17.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 1.0 109.651 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -70.26 -45.1 67.11 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.179 -0.95 . . . . 1.0 109.186 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.53 -37.39 75.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.287 -0.883 . . . . 1.0 109.455 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.488 ' HG ' HG23 ' A' ' 678' ' ' VAL . 7.7 tp -66.02 -35.68 81.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 1.0 109.449 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -57.93 -34.82 70.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.44 -1.319 . . . . 1.0 107.44 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -73.51 -39.72 64.6 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.76 -0.587 . . . . 1.0 109.6 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 677' ' ' LEU . 2.2 tt -71.07 -49.56 43.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.946 -1.096 . . . . 1.0 108.936 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.488 HG23 ' HG ' ' A' ' 674' ' ' LEU . 56.0 t -56.24 -31.06 31.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 107.837 -1.171 . . . . 1.0 107.837 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.43 76.79 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.555 ' SG ' ' N ' ' A' ' 681' ' ' SER . 0.1 OUTLIER -66.51 -39.92 88.94 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.325 -0.859 . . . . 1.0 109.373 179.591 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.777 ' OG ' HG13 ' A' ' 572' ' ' VAL . 4.4 t -56.03 -33.44 64.94 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.268 -0.895 . . . . 1.0 110.437 -179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -75.86 -29.42 58.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.758 -1.214 . . . . 1.0 109.878 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.02 -46.42 62.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 1.0 111.201 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.429 HG23 HD11 ' A' ' 653' ' ' LEU . 0.9 OUTLIER -59.04 -49.75 91.56 Favored Pre-proline 0 N--CA 1.495 1.816 0 O-C-N 121.031 -1.043 . . . . 1.0 112.197 -176.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.636 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.4 Cg_exo -65.14 -41.89 15.34 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.907 1.738 . . . . 1.0 112.887 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -67.24 -42.46 83.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.959 -1.088 . . . . 1.0 108.589 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . 0.637 ' OD1' HD23 ' A' ' 691' ' ' LEU . 58.1 t0 -74.58 -35.27 63.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 1.0 109.252 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.63 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.249 -0.907 . . . . 1.0 108.815 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -67.41 -40.73 85.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.462 -0.774 . . . . 1.0 109.522 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.85 -44.85 88.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 1.0 109.234 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.637 HD23 ' OD1' ' A' ' 687' ' ' ASP . 2.1 mm? -59.41 -32.44 70.18 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.232 -0.917 . . . . 1.0 108.715 178.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 696' ' ' HIS . . . -63.66 -32.62 74.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.0 108.776 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 23.3 m -66.12 -37.99 87.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.339 -0.851 . . . . 1.0 109.211 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.497 ' O ' ' ND2' ' A' ' 698' ' ' ASN . 2.9 m-85 -63.62 -40.65 97.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.324 -0.86 . . . . 1.0 109.002 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.5 mp -62.1 -37.73 86.2 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.211 -0.931 . . . . 1.0 108.921 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 692' ' ' ALA . 38.1 m80 -68.61 -44.77 73.58 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.432 -0.793 . . . . 1.0 110.365 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -54.64 -28.03 44.43 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.056 -1.218 . . . . 1.0 110.056 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 694' ' ' PHE . 1.2 p30 -126.46 11.8 7.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.067 -1.255 . . . . 1.0 109.992 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -55.75 -32.46 63.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.072 -1.018 . . . . 1.0 109.243 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 88.0 p -52.56 -35.39 53.69 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.277 -0.89 . . . . 1.0 109.241 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 4.4 mp -88.39 -40.22 13.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.231 -0.918 . . . . 1.0 110.055 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.526 HD13 ' HB1' ' A' ' 623' ' ' ALA . 54.1 mt -56.5 -33.53 66.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.968 -1.082 . . . . 1.0 108.367 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 7.9 m-85 -125.15 -71.83 0.69 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.399 -0.813 . . . . 1.0 109.48 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 30.2 ttm-85 77.49 108.7 0.08 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.941 . . . . 1.0 109.348 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -72.57 145.29 47.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 1.0 109.611 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 48.7 p -69.13 142.83 54.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 1.0 109.542 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 708' ' ' ALA . 67.3 mttm -61.57 -36.09 79.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.24 -0.913 . . . . 1.0 109.439 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 707' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.056 -0.973 . . . . 1.0 109.462 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.908 0 N-CA-C 119.411 2.525 . . . . 1.0 119.411 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.69 -57.47 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.211 -1.17 . . . . 1.0 109.493 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -77.25 157.36 46.4 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.591 -1.403 . . . . 1.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -98.66 142.31 30.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -1.128 . . . . 1.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 79.0 0.36 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.052 -1.03 . . . . 1.0 110.064 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -61.19 -152.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.549 2.166 . . . . 1.0 112.03 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 51.6 mt -95.2 158.01 15.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.055 -1.028 . . . . 1.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -100.06 151.94 20.79 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.808 HD13 ' C ' ' A' ' 554' ' ' LEU . 2.9 tm? -54.85 -42.95 72.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.507 -0.746 . . . . 1.0 109.961 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.41 -35.24 73.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 1.0 110.288 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.522 ' O ' ' OG1' ' A' ' 560' ' ' THR . 80.4 t -76.02 -39.0 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.667 -1.271 . . . . 1.0 107.815 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.87 79.95 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.956 -0.757 . . . . 1.0 108.956 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 24.9 m -71.09 -36.62 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 1.0 108.828 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.59 -51.86 17.92 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 1.0 109.984 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.522 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -66.11 -44.74 83.43 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.922 -1.111 . . . . 1.0 110.067 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.439 ' O ' ' OE1' ' A' ' 565' ' ' GLN . 1.0 OUTLIER -59.74 -40.47 88.2 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.021 -1.049 . . . . 1.0 109.406 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.81 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.29 -0.881 . . . . 1.0 109.855 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -35.95 81.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 1.0 109.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 568' ' ' VAL . 8.4 mp -69.23 -41.14 77.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.307 -0.87 . . . . 1.0 110.052 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . 0.908 HE22 HD13 ' A' ' 616' ' ' LEU . 3.7 mp0 -61.39 -33.21 73.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 1.0 109.859 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -78.17 -46.15 21.29 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.173 -0.954 . . . . 1.0 108.648 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 571' ' ' THR . . . -65.0 -32.99 86.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.67 -1.372 . . . . 1.0 109.67 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 564' ' ' LEU . 75.3 t -69.33 -49.29 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.043 -1.269 . . . . 1.0 108.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 30.0 m -67.15 -38.41 85.47 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.185 -0.947 . . . . 1.0 108.866 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 84.2 m -63.36 -43.77 96.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.461 -0.774 . . . . 1.0 109.739 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 567' ' ' GLY . 75.4 p -67.47 -32.68 73.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 1.0 109.886 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 568' ' ' VAL . 92.5 t -66.07 -37.7 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.252 -0.905 . . . . 1.0 109.566 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.68 82.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.092 -1.005 . . . . 1.0 108.671 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.51 -45.18 94.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.712 -0.618 . . . . 1.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.83 ' O ' HG23 ' A' ' 579' ' ' VAL . 6.0 tp -54.84 -44.54 74.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.337 -0.852 . . . . 1.0 109.561 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -41.42 65.73 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.378 -0.826 . . . . 1.0 109.196 178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -59.33 -41.52 89.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.336 -0.852 . . . . 1.0 109.215 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.282 -0.886 . . . . 1.0 109.412 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 575' ' ' LEU . 59.1 t -58.12 -38.13 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.208 -0.932 . . . . 1.0 109.53 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -51.61 -36.07 38.89 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.616 -1.394 . . . . 1.0 109.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 21.1 t -60.97 -30.93 70.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -1.173 . . . . 1.0 109.549 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -55.7 144.48 26.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.189 -0.945 . . . . 1.0 109.501 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 48.9 m -132.41 155.37 48.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 1.0 109.488 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -57.66 164.67 7.01 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.502 -1.439 . . . . 1.0 109.502 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.27 -34.45 44.86 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.812 2.341 . . . . 1.0 112.188 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 152.28 -133.99 4.35 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.487 -1.445 . . . . 1.0 109.487 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -165.78 -95.86 0.1 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -90.75 154.87 19.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.279 -1.13 . . . . 1.0 109.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 51.67 43.14 30.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.0 109.445 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 32.3 t -142.68 142.52 32.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.252 -0.905 . . . . 1.0 109.436 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . . . . . . . . . 26.6 p -126.48 167.81 15.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 1.0 109.459 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . . . . . . . . . 32.7 t -58.0 135.11 56.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.236 -0.915 . . . . 1.0 109.484 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 154.86 44.78 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.223 -0.923 . . . . 1.0 109.242 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -42.48 155.15 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.491 2.127 . . . . 1.0 112.019 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -62.35 132.67 53.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.203 -0.935 . . . . 1.0 109.645 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.437 ' N ' ' HD2' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -54.72 -53.84 56.02 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 1.0 110.717 -179.486 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 596' ' ' GLU . 59.1 Cg_endo -75.41 123.89 7.98 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.424 2.082 . . . . 1.0 112.066 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.43 136.43 6.05 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.04 1.827 . . . . 1.0 112.126 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.78 -36.6 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 1.0 109.643 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -56.51 -43.38 79.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.92 . . . . 1.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.81 -42.51 99.75 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.376 -0.827 . . . . 1.0 109.148 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 602' ' ' LEU . 31.6 tp -70.25 -42.27 72.4 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.401 -0.812 . . . . 1.0 109.045 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -61.84 -35.39 78.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.338 -0.851 . . . . 1.0 109.831 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.95 75.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 110.019 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.61 87.25 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.902 . . . . 1.0 110.168 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 607' ' ' ALA . 5.3 p -68.97 -38.25 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.106 -0.996 . . . . 1.0 109.632 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.409 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -58.49 -35.39 72.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.253 -0.904 . . . . 1.0 109.555 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.08 84.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.937 . . . . 1.0 109.691 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 86.6 t -63.02 -44.23 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 1.0 109.071 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.697 ' O ' ' OH ' ' A' ' 650' ' ' TYR . 19.9 m80 -63.43 -37.04 85.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.353 -0.842 . . . . 1.0 109.963 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.03 -42.98 98.63 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 110.559 -1.016 . . . . 1.0 110.559 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.2 84.31 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.843 -1.387 . . . . 1.0 109.42 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' A' ' 650' ' ' TYR . 68.8 t -65.59 -46.2 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.259 -0.901 . . . . 1.0 109.382 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -53.72 -36.24 62.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.344 -0.848 . . . . 1.0 109.205 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.39 -35.5 77.67 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.243 -1.021 . . . . 1.0 108.243 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.908 HD13 HE22 ' A' ' 565' ' ' GLN . 55.0 tp -67.52 -41.04 85.02 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.48 -1.304 . . . . 1.0 107.48 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.47 98.4 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.923 -1.14 . . . . 1.0 107.923 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.73 -45.7 57.38 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.344 -0.848 . . . . 1.0 109.714 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.482 ' CD2' HD22 ' A' ' 564' ' ' LEU . 3.2 m-85 -63.49 -48.0 79.42 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.161 -0.962 . . . . 1.0 108.864 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.41 91.87 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.236 -0.915 . . . . 1.0 108.628 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -42.45 89.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.533 -0.73 . . . . 1.0 109.706 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.7 p -58.18 -37.37 74.61 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.191 -0.943 . . . . 1.0 108.507 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.91 77.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.531 -0.731 . . . . 1.0 109.531 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 625' ' ' SER . 54.8 t -54.86 -48.26 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.274 -0.891 . . . . 1.0 109.68 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . 0.601 ' C ' ' O ' ' A' ' 624' ' ' VAL . 3.0 m 31.46 69.38 0.1 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.133 -0.979 . . . . 1.0 109.265 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 627' ' ' ALA . 0.8 OUTLIER 72.69 -66.14 0.32 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.324 -0.86 . . . . 1.0 109.416 -178.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 626' ' ' SER . . . 67.14 -8.97 0.41 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.249 -0.907 . . . . 1.0 109.539 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 626' ' ' SER . 6.6 t -139.59 148.69 42.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 1.0 109.518 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.642 ' CD2' ' H ' ' A' ' 630' ' ' THR . 73.2 t60 -171.83 -127.82 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 1.0 109.411 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . 0.642 ' H ' ' CD2' ' A' ' 629' ' ' HIS . 74.0 m -61.75 -38.15 86.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.26 -0.9 . . . . 1.0 109.536 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 83.9 p -144.47 161.4 39.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 1.0 109.603 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 632' ' ' ASP . 45.4 p30 -144.54 171.91 13.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 1.0 109.499 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . 0.464 ' HD3' HD11 ' A' ' 701' ' ' LEU . 57.9 mtp85 -122.51 163.37 20.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 1.0 109.483 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 49.2 m -60.2 -31.01 69.75 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 1.0 109.519 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.81 -45.3 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.0 109.496 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . 0.49 ' CE1' ' OG ' ' A' ' 640' ' ' SER . 19.8 t60 -62.94 -42.4 99.8 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.01 77.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.719 -0.845 . . . . 1.0 108.719 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -44.9 90.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.377 -0.827 . . . . 1.0 109.311 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.472 HD13 HD22 ' A' ' 698' ' ' ASN . 2.5 tt -60.18 -46.61 89.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.299 -0.875 . . . . 1.0 109.623 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . 0.49 ' OG ' ' CE1' ' A' ' 636' ' ' HIS . 18.6 m -57.48 -39.63 76.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 1.0 109.477 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -59.95 -45.6 92.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.838 . . . . 1.0 110.346 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.528 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 26.5 mt-30 -74.87 -31.31 61.57 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.877 -1.139 . . . . 1.0 110.416 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 31.5 tp -68.31 -51.16 47.86 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.006 -1.059 . . . . 1.0 110.054 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -63.67 -36.0 82.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.011 -1.055 . . . . 1.0 109.008 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -64.06 -36.32 83.63 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.896 -1.15 . . . . 1.0 107.896 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 33.8 tpp -68.0 -38.59 82.82 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.174 -1.046 . . . . 1.0 108.174 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -63.16 -52.03 64.06 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.57 0.7 . . . . 1.0 109.154 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . 0.733 ' O ' HG23 ' A' ' 652' ' ' THR . 13.3 t0 -65.65 -42.87 90.88 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.506 -0.746 . . . . 1.0 109.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 652' ' ' THR . 13.0 t -64.05 -45.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.378 -0.826 . . . . 1.0 109.965 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.718 ' CE1' HG11 ' A' ' 613' ' ' VAL . 22.3 t80 -70.31 -37.3 74.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.078 -1.014 . . . . 1.0 110.132 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -68.91 -32.62 72.38 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.832 -1.168 . . . . 1.0 109.403 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 648' ' ' ASP . 24.6 p -65.28 -34.82 79.25 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.06 -1.025 . . . . 1.0 108.793 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.729 HD21 ' CB ' ' A' ' 680' ' ' CYS . 6.0 mt -69.11 -36.69 77.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.511 -0.743 . . . . 1.0 109.362 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 79.3 t -58.63 -44.3 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.976 . . . . 1.0 109.27 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 72.4 t -68.54 -46.14 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -34.77 78.34 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 107.858 -1.164 . . . . 1.0 107.858 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 653' ' ' LEU . . . -72.66 -49.4 18.61 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.327 -1.509 . . . . 1.0 109.327 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -56.86 -27.6 60.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.139 -1.212 . . . . 1.0 109.519 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' VAL . 76.4 t -64.93 -39.84 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.184 -0.948 . . . . 1.0 109.688 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -50.61 -23.5 2.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.148 -0.97 . . . . 1.0 109.393 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -84.27 115.98 22.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.288 -0.883 . . . . 1.0 109.437 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 t 46.33 84.49 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.883 . . . . 1.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 668' ' ' GLY . . . -87.51 4.08 86.12 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.68 -1.368 . . . . 1.0 109.68 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -57.59 -26.7 61.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -1.092 . . . . 1.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -47.5 -33.51 8.59 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.509 -1.436 . . . . 1.0 109.509 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . 0.498 ' N ' ' CD ' ' A' ' 667' ' ' PRO . . . 168.63 -52.37 0.22 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.493 -1.443 . . . . 1.0 109.493 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 666' ' ' GLY . 32.2 Cg_exo -56.83 -29.55 81.71 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.949 2.432 . . . . 1.0 112.333 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 669' ' ' PHE . . . 67.81 -64.24 0.32 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.569 ' CG ' ' O ' ' A' ' 669' ' ' PHE . 0.0 OUTLIER 59.15 119.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -1.142 . . . . 1.0 109.456 -179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 76.9 p -141.04 -158.88 0.9 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.266 -0.896 . . . . 1.0 109.464 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 674' ' ' LEU . 73.4 mt -56.28 -29.86 61.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.258 -0.901 . . . . 1.0 109.273 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 20.2 p-10 -66.6 -47.05 73.93 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.377 -0.827 . . . . 1.0 109.056 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.553 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 1.6 m-20 -58.3 -31.62 67.68 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.463 -0.773 . . . . 1.0 109.46 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 671' ' ' LEU . 88.5 mt -63.47 -38.0 89.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.319 -0.863 . . . . 1.0 109.238 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -62.91 -35.35 79.78 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.157 -1.423 . . . . 1.0 107.157 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -72.59 -39.88 67.01 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 109.241 -0.651 . . . . 1.0 109.241 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.12 -45.8 66.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.008 . . . . 1.0 108.323 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.36 -31.63 38.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 N-CA-C 107.79 -1.189 . . . . 1.0 107.79 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.21 63.61 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.885 -0.784 . . . . 1.0 108.885 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.729 ' CB ' HD21 ' A' ' 653' ' ' LEU . 82.9 m -64.69 -37.24 86.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.331 -0.856 . . . . 1.0 109.516 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.628 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 18.2 t -57.3 -35.78 70.25 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.359 -0.838 . . . . 1.0 111.464 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.413 HH11 ' HB2' ' A' ' 682' ' ' ARG . 18.7 mtp-105 -76.81 -26.9 54.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.354 -1.466 . . . . 1.0 110.464 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.42 54.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.075 -1.016 . . . . 1.0 111.651 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 0.3 OUTLIER -62.15 -44.11 88.01 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 120.415 -1.428 . . . . 1.0 112.508 -177.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.628 ' CD ' ' O ' ' A' ' 681' ' ' SER . 27.9 Cg_endo -62.46 -42.29 28.18 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 121.236 1.291 . . . . 1.0 112.1 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.83 -38.23 84.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.319 -0.863 . . . . 1.0 109.146 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.93 -31.97 63.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.268 -0.895 . . . . 1.0 109.291 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.59 ' HB1' HD22 ' A' ' 616' ' ' LEU . . . -60.1 -41.5 92.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.201 -0.937 . . . . 1.0 108.809 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -40.25 95.81 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.445 -0.785 . . . . 1.0 109.963 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -72.56 -42.79 64.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.255 -0.903 . . . . 1.0 109.922 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.43 HD12 HE21 ' A' ' 642' ' ' GLN . 10.3 tp -59.33 -35.61 74.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.966 -1.083 . . . . 1.0 108.434 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.07 79.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.381 -0.824 . . . . 1.0 108.874 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 24.1 m -65.93 -39.03 90.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.172 -0.955 . . . . 1.0 109.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.528 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.1 m-85 -65.9 -38.01 87.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.0 108.812 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 699' ' ' ALA . 6.9 mp -60.65 -37.08 80.33 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.189 -1.041 . . . . 1.0 108.189 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -48.71 70.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.559 -0.713 . . . . 1.0 110.145 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.13 57.92 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 698' ' ' ASN . 0.0 OUTLIER -116.49 7.6 13.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.944 -1.327 . . . . 1.0 109.602 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -52.5 -30.22 29.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.144 -0.972 . . . . 1.0 109.364 -179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . . . . . . . . . 83.3 p -58.35 -39.41 79.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.241 -0.912 . . . . 1.0 109.582 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . 0.464 HD11 ' HD3' ' A' ' 633' ' ' ARG . 96.8 mt -88.62 -43.58 11.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.938 . . . . 1.0 110.313 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.08 -33.91 58.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.002 -1.061 . . . . 1.0 108.434 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -126.38 -101.71 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.401 -0.812 . . . . 1.0 109.414 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -171.43 106.27 0.23 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.451 -0.781 . . . . 1.0 110.124 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -57.36 -40.36 77.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 1.0 109.523 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 6.7 t -142.9 155.86 44.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 1.0 109.645 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -97.7 148.76 23.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 1.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.993 -1.003 . . . . 1.0 109.379 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.87 0 N-CA-C 119.412 2.525 . . . . 1.0 119.412 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 22.0 m -57.64 -36.13 71.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.237 -1.155 . . . . 1.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -70.56 142.21 34.91 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 549' ' ' ARG . 2.0 mpt_? -64.12 146.68 53.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.228 -1.16 . . . . 1.0 109.459 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.58 153.19 81.18 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.342 -0.849 . . . . 1.0 109.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.98 147.03 1.43 Allowed 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.322 2.014 . . . . 1.0 111.789 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 553' ' ' GLU . 0.9 OUTLIER -87.02 -22.54 25.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.179 -0.951 . . . . 1.0 109.5 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.62 ' CB ' ' O ' ' A' ' 552' ' ' LEU . 13.3 tp10 87.19 103.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.75 -34.9 70.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.525 -0.734 . . . . 1.0 110.423 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.57 -40.4 92.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.017 -1.052 . . . . 1.0 110.448 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' A' ' 560' ' ' THR . 90.2 t -73.37 -41.77 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.475 -1.391 . . . . 1.0 107.777 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.73 91.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.371 -0.831 . . . . 1.0 109.497 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -33.78 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.29 -0.881 . . . . 1.0 110.442 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.73 -50.99 15.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.82 -1.175 . . . . 1.0 110.063 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.46 HG23 ' NH2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -63.16 -41.76 99.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.428 -0.795 . . . . 1.0 109.669 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 41.6 tp -61.56 -40.35 94.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.216 -0.928 . . . . 1.0 109.476 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -57.11 -34.29 68.19 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.505 -0.747 . . . . 1.0 109.917 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.46 ' NH2' HG23 ' A' ' 560' ' ' THR . 50.3 mtm180 -64.58 -39.31 93.5 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.121 -0.987 . . . . 1.0 108.61 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 568' ' ' VAL . 10.0 mp -61.75 -44.02 97.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.68 -0.638 . . . . 1.0 110.067 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -61.2 -35.37 76.99 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.315 -0.865 . . . . 1.0 109.746 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.65 -49.39 13.28 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.202 -0.937 . . . . 1.0 108.653 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 571' ' ' THR . . . -61.87 -33.36 85.13 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.354 -1.498 . . . . 1.0 109.354 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 564' ' ' LEU . 85.2 t -72.78 -49.56 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 120.987 -1.302 . . . . 1.0 108.733 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.1 p -66.76 -38.48 86.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.15 -0.969 . . . . 1.0 109.059 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 89.0 m -62.01 -41.22 97.83 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.423 -0.798 . . . . 1.0 110.26 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 567' ' ' GLY . 61.6 p -66.81 -33.12 74.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.134 -0.979 . . . . 1.0 109.688 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.657 HG13 ' OG ' ' A' ' 681' ' ' SER . 76.9 t -67.69 -38.04 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.0 109.22 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.87 90.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.255 -0.903 . . . . 1.0 109.245 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -58.51 -50.75 72.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.232 -0.918 . . . . 1.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 579' ' ' VAL . 5.2 tt -55.87 -48.07 76.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.256 -0.903 . . . . 1.0 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.96 -38.97 72.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.162 -0.961 . . . . 1.0 109.397 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.48 -39.1 89.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 1.0 109.093 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.4 -37.99 74.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.806 . . . . 1.0 109.555 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 575' ' ' LEU . 78.3 t -62.94 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.0 109.506 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . . . . . . . . . . . -63.72 -44.97 95.55 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.477 -1.449 . . . . 1.0 109.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 24.7 m -60.89 -34.07 74.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -1.188 . . . . 1.0 109.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -56.43 143.35 35.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 1.0 109.5 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 24.5 t -143.24 149.86 38.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 1.0 109.489 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -55.88 163.14 5.33 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.588 -1.405 . . . . 1.0 109.588 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -59.77 149.31 83.94 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.749 2.299 . . . . 1.0 112.195 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -131.74 -49.9 0.1 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.572 -1.411 . . . . 1.0 109.572 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . -56.74 -41.36 90.36 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.541 -1.424 . . . . 1.0 109.541 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -120.11 146.65 45.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -1.153 . . . . 1.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . . . . . . . . . 20.0 mtp-105 -126.48 151.0 48.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 1.0 109.435 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 17.0 m 48.65 52.24 14.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.229 -0.919 . . . . 1.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 592' ' ' SER . 0.2 OUTLIER -138.05 28.77 2.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.32 -0.862 . . . . 1.0 109.504 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 591' ' ' THR . 1.4 t 50.26 -177.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 1.0 109.453 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -135.14 156.99 77.78 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.939 . . . . 1.0 109.217 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.69 159.7 51.85 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.756 2.304 . . . . 1.0 112.237 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.68 51.23 1.53 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 1.0 109.524 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.456 ' CB ' ' CD ' ' A' ' 597' ' ' PRO . 8.1 mm-40 -148.19 -64.9 0.02 OUTLIER Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.137 -0.977 . . . . 1.0 110.817 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 596' ' ' GLU . 4.7 Cg_exo -44.14 -49.4 8.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.01 1.807 . . . . 1.0 114.286 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.87 -18.85 14.54 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.868 1.712 . . . . 1.0 112.446 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.52 -44.71 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.333 -0.854 . . . . 1.0 109.607 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.77 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.099 -1.001 . . . . 1.0 108.869 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.48 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.368 -0.833 . . . . 1.0 109.178 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 674' ' ' LEU . 1.1 tp -74.38 -42.77 58.74 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.338 -0.851 . . . . 1.0 108.923 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.534 -0.729 . . . . 1.0 109.342 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.25 70.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.373 -0.829 . . . . 1.0 110.142 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -71.3 -47.43 56.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.158 -0.964 . . . . 1.0 110.146 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . 0.68 HG22 ' CD2' ' A' ' 610' ' ' HIS . 10.7 p -68.34 -36.7 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.987 -1.071 . . . . 1.0 109.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 606' ' ' VAL . . . -63.6 -35.58 80.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.0 109.669 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -64.4 -50.76 66.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 1.0 109.569 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.99 -43.13 97.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.538 -0.726 . . . . 1.0 109.321 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.68 ' CD2' HG22 ' A' ' 606' ' ' VAL . 13.2 m-70 -63.5 -40.81 98.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.286 -0.884 . . . . 1.0 109.762 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -60.99 -41.43 99.42 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 110.053 -1.219 . . . . 1.0 110.053 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -68.16 -32.93 73.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.858 -1.378 . . . . 1.0 109.669 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.941 HG11 ' CD1' ' A' ' 650' ' ' TYR . 77.0 t -63.95 -46.7 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.162 -0.961 . . . . 1.0 109.081 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -36.22 50.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.85 . . . . 1.0 108.948 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.87 -33.55 74.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.234 -0.916 . . . . 1.0 108.986 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 616' ' ' LEU . 0.2 OUTLIER -71.03 -44.12 66.48 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.84 -1.17 . . . . 1.0 107.84 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -42.73 95.71 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.921 -1.14 . . . . 1.0 107.921 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.98 -45.14 62.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.34 -0.85 . . . . 1.0 110.186 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.75 -47.55 83.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.966 -1.084 . . . . 1.0 108.911 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.09 92.93 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.472 -0.936 . . . . 1.0 108.472 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -61.15 -45.92 92.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.546 -0.721 . . . . 1.0 109.92 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 23.1 t -59.12 -38.94 80.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.177 -0.952 . . . . 1.0 108.938 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.98 86.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.564 -0.71 . . . . 1.0 109.872 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 643' ' ' LEU . 98.3 t -64.13 -42.62 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 1.0 109.462 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 24.6 t -60.08 -34.34 73.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.329 -0.857 . . . . 1.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 74.6 m -85.54 6.74 25.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.117 -0.989 . . . . 1.0 109.652 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . . . . . . . . . . . -80.24 118.86 22.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 1.0 109.576 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 34.1 m -141.82 127.68 19.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.18 -0.95 . . . . 1.0 109.242 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -166.37 136.56 3.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 1.0 109.434 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 65.1 p -74.4 -17.43 60.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 1.0 109.484 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 24.4 t -108.22 143.07 37.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.251 -0.906 . . . . 1.0 109.504 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.53 122.17 31.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.902 . . . . 1.0 109.534 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -100.92 153.38 19.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 1.0 109.386 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 27.3 m -60.81 -38.67 86.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 1.0 109.611 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 697' ' ' GLY . 67.6 mt -59.13 -46.55 88.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.0 109.43 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -60.0 -46.03 90.82 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.226 -1.027 . . . . 1.0 108.226 178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.621 -0.881 . . . . 1.0 108.621 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.65 -43.96 91.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.573 -0.705 . . . . 1.0 109.83 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.93 -47.27 85.65 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.273 -0.892 . . . . 1.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 82.8 p -59.16 -47.35 85.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0 109.506 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -64.07 -43.3 95.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.592 -0.693 . . . . 1.0 109.702 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.442 ' C ' ' NE2' ' A' ' 642' ' ' GLN . 0.8 OUTLIER -70.19 -30.06 67.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.362 -0.836 . . . . 1.0 110.113 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 624' ' ' VAL . 29.1 tp -66.62 -50.53 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.222 -0.924 . . . . 1.0 110.186 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.81 -37.78 88.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.139 -0.976 . . . . 1.0 108.963 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -63.69 -34.05 77.01 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.026 -1.102 . . . . 1.0 108.026 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 646' ' ' MET . 0.0 OUTLIER -68.1 -37.88 81.69 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.652 -0.87 . . . . 1.0 108.652 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.44 -51.59 65.05 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.696 0.76 . . . . 1.0 109.072 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.17 -43.39 87.02 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.74 -0.6 . . . . 1.0 109.502 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.11 -45.01 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 1.0 110.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.941 ' CD1' HG11 ' A' ' 613' ' ' VAL . 29.9 t80 -69.82 -34.46 73.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.03 -1.044 . . . . 1.0 109.777 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -72.89 -40.1 65.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.015 -1.053 . . . . 1.0 109.817 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.483 ' O ' ' CD2' ' A' ' 656' ' ' HIS . 85.1 m -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.08 -1.012 . . . . 1.0 109.885 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 49.5 mt -71.77 -34.38 69.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.038 . . . . 1.0 110.087 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 650' ' ' TYR . 72.9 t -60.72 -43.59 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 1.0 109.251 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . 0.836 ' O ' HG23 ' A' ' 659' ' ' VAL . 79.3 t -67.36 -44.28 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.913 -1.117 . . . . 1.0 108.609 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 652' ' ' THR . 63.5 m-70 -59.75 -40.16 87.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 107.145 -1.428 . . . . 1.0 107.145 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.5 -52.55 16.0 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.646 -1.382 . . . . 1.0 109.646 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -59.35 -28.25 66.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.136 -1.214 . . . . 1.0 110.415 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 655' ' ' VAL . 54.1 t -63.85 -37.8 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 1.0 109.885 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 660' ' ' LEU . 1.1 pp -51.68 -30.16 20.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.0 109.648 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 662' ' ' SER . 54.9 t0 -82.99 120.03 25.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.282 -0.886 . . . . 1.0 109.674 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 661' ' ' ASP . 3.8 m 47.63 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.209 -0.932 . . . . 1.0 109.473 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 664' ' ' ARG . . . -54.64 -36.99 60.02 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 663' ' ' GLY . 55.8 ttt85 45.35 76.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -1.131 . . . . 1.0 109.413 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.82 10.82 64.44 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.431 -1.468 . . . . 1.0 109.431 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -130.33 78.35 0.38 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.65 -1.38 . . . . 1.0 109.65 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -50.98 151.87 11.01 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.943 2.429 . . . . 1.0 112.356 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 99.71 -110.23 3.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.776 -1.33 . . . . 1.0 109.776 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 669' ' ' PHE . 1.2 t80 50.12 85.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.177 -1.19 . . . . 1.0 109.42 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 44.6 p -153.0 -128.11 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.958 . . . . 1.0 109.479 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 671' ' ' LEU . 4.0 mm? -62.68 -28.29 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 1.0 109.445 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -67.84 -45.53 74.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.286 -0.884 . . . . 1.0 109.411 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.504 ' OD2' ' NH2' ' A' ' 676' ' ' ARG . 5.4 t0 -56.93 -36.77 70.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.241 -0.912 . . . . 1.0 109.543 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . 0.465 HD21 HD21 ' A' ' 602' ' ' LEU . 6.3 mt -62.73 -41.27 99.09 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 1.0 109.692 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -57.7 -36.7 72.34 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.788 -1.189 . . . . 1.0 107.788 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . 0.504 ' NH2' ' OD2' ' A' ' 673' ' ' ASP . 24.2 ttp-105 -72.71 -39.89 66.61 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.371 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 677' ' ' LEU . 1.9 tt -70.79 -49.35 47.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.071 -1.018 . . . . 1.0 108.836 179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.82 -31.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 N-CA-C 108.041 -1.096 . . . . 1.0 108.041 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . 0.461 ' O ' ' NH1' ' A' ' 682' ' ' ARG . . . -69.01 -39.43 79.31 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.549 -0.719 . . . . 1.0 109.149 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -43.95 71.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.657 ' OG ' HG13 ' A' ' 572' ' ' VAL . 7.4 t -57.88 -33.07 68.32 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.094 -1.004 . . . . 1.0 111.03 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 679' ' ' ALA . 14.4 ptt-85 -77.59 -30.63 52.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.445 -1.409 . . . . 1.0 109.594 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -67.54 -46.99 71.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.125 -0.984 . . . . 1.0 110.719 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 685' ' ' PRO . 2.2 t -55.58 -54.01 56.11 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.055 -1.028 . . . . 1.0 112.315 -177.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 25.0 Cg_endo -61.98 -42.92 27.49 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.016 1.81 . . . . 1.0 112.758 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -68.33 -44.02 76.25 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.125 -0.984 . . . . 1.0 108.465 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.78 -33.92 68.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.408 -0.808 . . . . 1.0 109.051 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 684' ' ' VAL . . . -59.21 -40.22 85.12 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.13 -0.981 . . . . 1.0 108.469 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -68.17 -44.99 74.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.556 -0.715 . . . . 1.0 109.396 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.12 -46.21 71.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.345 -0.847 . . . . 1.0 109.423 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -32.35 68.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.174 -0.954 . . . . 1.0 108.445 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -65.28 -31.93 73.32 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.373 -0.829 . . . . 1.0 109.19 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.8 t -66.22 -37.15 84.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.337 -0.852 . . . . 1.0 110.318 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.417 ' O ' ' OD1' ' A' ' 698' ' ' ASN . 4.1 m-85 -63.73 -40.64 97.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.841 -1.162 . . . . 1.0 108.906 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 702' ' ' LEU . 4.3 mm? -62.24 -37.8 86.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.319 -0.863 . . . . 1.0 109.143 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 59.5 m-70 -71.65 -44.12 64.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.248 -0.908 . . . . 1.0 110.874 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . 0.52 ' C ' HD13 ' A' ' 635' ' ' LEU . . . -54.74 -27.76 44.36 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.542 -1.423 . . . . 1.0 109.542 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 695' ' ' LEU . 2.3 p30 -116.55 10.96 14.64 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -1.115 . . . . 1.0 109.788 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . . . -55.45 -31.44 61.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.131 -0.981 . . . . 1.0 109.825 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . 0.403 ' O ' ' CA ' ' A' ' 704' ' ' ARG . 83.5 p -58.5 -39.36 79.84 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.063 -1.023 . . . . 1.0 108.728 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 97.8 mt -87.97 -46.34 9.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.451 -0.781 . . . . 1.0 110.429 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 695' ' ' LEU . 71.1 mt -55.6 -32.89 63.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.821 -1.174 . . . . 1.0 108.9 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.558 ' O ' ' CB ' ' A' ' 704' ' ' ARG . 10.0 m-85 -125.67 -66.68 0.93 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.128 -0.982 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 703' ' ' PHE . 0.0 OUTLIER 79.34 110.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.3 -0.875 . . . . 1.0 109.525 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . . . . . . . . . 51.4 ttm-85 -71.83 135.05 46.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 1.0 109.488 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 6.1 t -144.25 155.76 44.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.0 109.446 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.06 -34.87 74.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.237 -0.915 . . . . 1.0 109.59 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.983 -1.008 . . . . 1.0 109.421 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.388 2.515 . . . . 1.0 119.388 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . . . . . . . . . 50.9 m -66.5 154.77 39.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.24 -1.153 . . . . 1.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -157.91 179.52 33.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -60.22 -34.46 73.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -1.118 . . . . 1.0 109.432 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -136.36 153.0 76.04 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.186 -0.946 . . . . 1.0 109.621 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -44.16 166.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.888 2.392 . . . . 1.0 112.079 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 43.7 mt -85.83 152.49 22.97 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.107 -0.996 . . . . 1.0 109.232 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 553' ' ' GLU . 54.0 mp0 -94.39 161.42 14.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.79 ' O ' HG13 ' A' ' 558' ' ' VAL . 2.5 pp -61.21 -35.71 77.93 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.105 -0.997 . . . . 1.0 110.509 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.76 -36.86 83.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.949 -1.094 . . . . 1.0 110.418 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' VAL . . . . . 0.512 ' O ' ' OG1' ' A' ' 560' ' ' THR . 72.2 t -77.45 -43.58 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.721 -1.237 . . . . 1.0 107.708 178.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 703' ' ' PHE . . . -59.11 -43.94 91.95 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.542 -0.724 . . . . 1.0 109.562 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 554' ' ' LEU . 13.8 m -70.41 -31.12 45.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 1.0 109.389 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.46 -47.98 37.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.228 -0.92 . . . . 1.0 109.925 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 556' ' ' VAL . 0.2 OUTLIER -63.8 -42.27 97.74 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.929 -1.107 . . . . 1.0 109.591 -179.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.559 ' O ' HD13 ' A' ' 561' ' ' LEU . 0.2 OUTLIER -57.57 -34.38 69.15 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.092 -1.005 . . . . 1.0 109.198 179.186 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.47 84.06 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.443 -0.785 . . . . 1.0 109.548 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 68.9 mmt-85 -61.84 -36.09 80.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.257 -0.902 . . . . 1.0 108.897 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 568' ' ' VAL . 4.4 mp -61.57 -40.85 96.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.455 -0.778 . . . . 1.0 109.215 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.07 -33.75 73.81 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.307 -0.87 . . . . 1.0 109.692 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -79.06 -51.16 9.94 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.992 -1.068 . . . . 1.0 108.497 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 571' ' ' THR . . . -63.49 -34.84 91.05 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.336 -1.506 . . . . 1.0 109.336 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 564' ' ' LEU . 79.2 t -71.05 -48.62 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -1.21 . . . . 1.0 108.887 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' SER . . . . . . . . . . . . . 84.0 p -66.81 -37.15 83.98 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.268 -0.895 . . . . 1.0 109.043 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 95.2 m -65.5 -44.29 87.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.633 -0.667 . . . . 1.0 110.904 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 567' ' ' GLY . 54.5 p -69.49 -35.21 75.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.024 -1.047 . . . . 1.0 110.355 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . 0.478 ' CG1' ' OG ' ' A' ' 681' ' ' SER . 85.4 t -70.03 -37.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.898 -1.126 . . . . 1.0 109.563 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.13 82.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.169 -0.957 . . . . 1.0 108.647 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -58.7 -48.82 79.81 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 1.0 109.433 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 5.0 tp -57.34 -48.24 79.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.42 -0.8 . . . . 1.0 109.129 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -40.3 74.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.521 -0.737 . . . . 1.0 109.148 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -43.07 99.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.216 -0.928 . . . . 1.0 109.101 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . . . . . . . . . 36.5 tp -64.34 -43.34 94.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.308 -0.87 . . . . 1.0 109.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 580' ' ' GLY . 72.7 t -73.25 -50.81 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.161 -0.962 . . . . 1.0 109.556 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 579' ' ' VAL . . . 44.29 -114.13 0.96 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.549 -1.421 . . . . 1.0 109.549 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 582' ' ' ALA . 44.3 p -114.47 28.58 8.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -1.137 . . . . 1.0 109.528 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 581' ' ' SER . . . 72.62 178.89 0.23 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.229 -0.92 . . . . 1.0 109.481 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 22.8 m -57.25 -36.55 71.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.261 -0.899 . . . . 1.0 109.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . -167.39 -167.8 28.61 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.488 -1.445 . . . . 1.0 109.488 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -53.2 146.75 38.04 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.83 2.353 . . . . 1.0 112.183 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . -55.39 -37.51 66.26 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' GLY . . . . . . . . . . . . . . . 79.12 -163.54 49.19 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 589' ' ' ARG . 19.3 p90 -98.98 -48.54 4.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -1.136 . . . . 1.0 109.509 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 588' ' ' TRP . 0.5 OUTLIER 46.79 93.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.424 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' SER . . . . . . . . . . . . . 19.7 m -60.1 -42.3 94.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.94 . . . . 1.0 109.435 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' THR . . . . . 0.513 HG23 ' OG ' ' A' ' 592' ' ' SER . 13.4 t -152.3 163.13 40.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 1.0 109.438 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' SER . . . . . 0.513 ' OG ' HG23 ' A' ' 591' ' ' THR . 0.7 OUTLIER 69.9 113.91 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 1.0 109.435 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -133.42 61.61 55.17 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.88 . . . . 1.0 109.417 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -70.99 151.55 62.13 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.763 2.309 . . . . 1.0 112.241 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . 0.627 ' NE2' HG22 ' A' ' 599' ' ' VAL . 0.5 OUTLIER -62.64 137.97 58.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.441 -0.787 . . . . 1.0 109.471 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 597' ' ' PRO . 0.5 OUTLIER -70.43 -51.94 12.22 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.088 -1.008 . . . . 1.0 110.277 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 596' ' ' GLU . 37.5 Cg_endo -73.5 133.95 19.78 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.135 1.89 . . . . 1.0 113.964 -179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.449 ' O ' ' OD2' ' A' ' 601' ' ' ASP . 86.8 Cg_exo -42.37 152.49 0.17 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.613 1.542 . . . . 1.0 111.933 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . 0.627 HG22 ' NE2' ' A' ' 595' ' ' GLN . 76.6 t -70.4 -33.47 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.247 -0.908 . . . . 1.0 110.186 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.1 -45.73 91.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.041 -1.037 . . . . 1.0 109.694 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 602' ' ' LEU . 2.9 p30 -63.16 -35.42 80.22 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.349 -0.844 . . . . 1.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.609 ' O ' HD23 ' A' ' 602' ' ' LEU . 2.0 tt -77.28 -43.14 34.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.245 -0.909 . . . . 1.0 108.994 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -68.27 -39.11 82.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.347 -0.846 . . . . 1.0 109.522 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' ALA . . . . . . . . . . . . . . . -69.03 -34.09 74.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 1.0 109.813 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.64 77.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.16 -0.962 . . . . 1.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' VAL . . . . . . . . . . . . . 4.3 p -69.22 -36.52 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.975 -1.078 . . . . 1.0 109.507 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.61 75.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.72 95.55 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 1.0 109.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' VAL . . . . . 0.473 ' O ' ' CG2' ' A' ' 613' ' ' VAL . 1.2 t -61.8 -43.7 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 1.0 109.278 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 614' ' ' HIS . 4.9 m80 -59.24 -29.04 67.25 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 1.0 109.319 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . -67.62 -43.89 84.02 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.08 76.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.812 -1.405 . . . . 1.0 110.277 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' VAL . . . . . 0.568 HG12 ' OH ' ' A' ' 650' ' ' TYR . 0.1 OUTLIER -72.11 -43.27 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 610' ' ' HIS . 43.5 m170 -55.01 -37.03 66.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 1.0 108.977 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -27.49 66.41 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.366 -0.976 . . . . 1.0 108.366 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.639 ' HA ' HD23 ' A' ' 564' ' ' LEU . 5.5 tt -70.4 -44.76 67.32 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.379 -0.971 . . . . 1.0 108.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.938 HD13 ' CE2' ' A' ' 650' ' ' TYR . 1.6 mp -60.77 -35.73 77.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.367 -0.833 . . . . 1.0 108.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.46 -44.2 65.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.186 -0.946 . . . . 1.0 109.897 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' PHE . . . . . 0.564 ' CG ' HD21 ' A' ' 564' ' ' LEU . 3.7 m-85 -62.56 -45.81 91.23 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.031 -1.043 . . . . 1.0 109.132 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 624' ' ' VAL . . . -62.5 -38.63 90.67 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -42.11 73.67 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.713 -0.617 . . . . 1.0 109.651 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.6 t -60.64 -46.48 90.15 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.24 -0.913 . . . . 1.0 108.775 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.8 80.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.409 -0.807 . . . . 1.0 109.373 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 620' ' ' ALA . 76.0 t -60.99 -48.14 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.454 -0.779 . . . . 1.0 109.803 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 624' ' ' VAL . 9.4 p 32.78 43.41 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.92 . . . . 1.0 109.675 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.508 ' H ' HG12 ' A' ' 624' ' ' VAL . 1.2 m 61.94 58.28 1.94 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.216 -0.927 . . . . 1.0 109.471 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 626' ' ' SER . . . -42.13 142.14 0.79 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.924 . . . . 1.0 109.769 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 629' ' ' HIS . 33.1 m -87.4 158.43 19.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.359 -0.838 . . . . 1.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 628' ' ' THR . 95.3 m-70 -92.32 132.36 36.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.926 . . . . 1.0 109.592 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' THR . . . . . . . . . . . . . 66.7 p -136.44 -158.28 0.85 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.247 -0.908 . . . . 1.0 109.391 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 20.1 m -50.23 -41.65 50.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.243 -0.911 . . . . 1.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -99.42 131.22 45.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.968 . . . . 1.0 109.45 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -141.19 -19.08 0.79 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -0.92 . . . . 1.0 109.575 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 63.5 m -60.22 -39.67 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 1.0 109.561 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 635' ' ' LEU . 9.6 mp -60.37 -47.32 86.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.2 -0.937 . . . . 1.0 109.211 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -61.88 -46.13 90.73 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.209 -0.932 . . . . 1.0 108.514 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.79 75.12 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.782 -0.821 . . . . 1.0 108.782 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' LYS . . . . . 0.526 ' HZ2' ' HB2' ' A' ' 638' ' ' LYS . 0.0 OUTLIER -63.77 -38.29 90.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.532 -0.73 . . . . 1.0 109.157 178.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' LEU . . . . . 0.515 ' CD1' HD21 ' A' ' 698' ' ' ASN . 5.8 tt -59.81 -47.45 85.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.288 -0.883 . . . . 1.0 109.484 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 24.5 m -57.91 -41.91 83.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.302 -0.873 . . . . 1.0 109.755 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.01 -45.31 95.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 1.0 109.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . 0.533 ' OE1' ' CE2' ' A' ' 694' ' ' PHE . 27.3 mt-30 -72.69 -30.5 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 1.0 110.159 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -50.84 61.24 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.129 -0.982 . . . . 1.0 109.304 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.89 -36.21 83.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -0.925 . . . . 1.0 108.849 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -63.03 -35.02 78.82 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.664 -1.235 . . . . 1.0 107.664 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' MET . . . . . . . . . . . . . 3.4 tpt -70.06 -37.65 75.55 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.383 -0.969 . . . . 1.0 108.383 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -62.14 -49.82 74.33 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.667 0.746 . . . . 1.0 109.081 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -53.72 -42.71 68.39 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.668 -0.645 . . . . 1.0 109.955 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' VAL . . . . . . . . . . . . . 88.7 t -70.47 -36.0 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 1.0 109.628 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.938 ' CE2' HD13 ' A' ' 617' ' ' LEU . 3.1 m-85 -62.3 -51.68 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 1.0 109.796 -179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -68.81 -36.84 78.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.239 -0.913 . . . . 1.0 109.549 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 84.8 m -57.71 -41.49 81.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.207 -0.933 . . . . 1.0 109.182 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.774 HD21 ' CB ' ' A' ' 680' ' ' CYS . 41.9 mt -69.26 -41.56 76.74 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 1.0 109.179 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.83 -44.1 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -0.863 . . . . 1.0 109.989 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.6 -46.43 89.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.975 -1.078 . . . . 1.0 108.444 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.58 -41.49 90.33 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.277 -1.008 . . . . 1.0 108.277 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' GLY . . . . . . . . . . . . . . . -70.9 -44.55 55.49 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.596 -1.402 . . . . 1.0 109.596 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -58.03 -40.12 80.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.01 -1.288 . . . . 1.0 109.452 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.91 -34.46 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.352 -0.843 . . . . 1.0 110.056 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.71 -32.55 63.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.939 -1.101 . . . . 1.0 109.208 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -61.61 130.9 48.14 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 1.0 109.6 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 23.6 t -66.03 152.13 45.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.338 -0.851 . . . . 1.0 109.585 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . 178.5 -163.08 30.78 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.457 -1.457 . . . . 1.0 109.457 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -54.67 -34.75 62.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.197 -1.179 . . . . 1.0 109.483 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -92.71 134.13 12.05 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.494 -1.442 . . . . 1.0 109.494 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -137.14 74.83 0.4 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.492 -1.443 . . . . 1.0 109.492 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.47 -28.04 34.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.004 2.469 . . . . 1.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 92.22 100.39 1.38 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.609 -1.396 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -143.11 162.92 34.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 1.0 109.415 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . 0.488 HG23 ' H ' ' A' ' 671' ' ' LEU . 1.4 t -167.53 -114.9 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.282 -0.886 . . . . 1.0 109.651 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . 0.488 ' H ' HG23 ' A' ' 670' ' ' THR . 2.5 mm? -62.2 -26.82 68.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.0 109.211 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 673' ' ' ASP . 22.6 p-10 -67.28 -43.06 82.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 1.0 109.517 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 672' ' ' ASP . 0.2 OUTLIER -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 1.0 109.684 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' LEU . . . . . . . . . . . . . 70.7 mt -69.08 -43.63 74.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 1.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.06 -37.96 78.28 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.521 -1.288 . . . . 1.0 107.521 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 59.3 ttm-85 -71.45 -40.28 70.43 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.703 -0.623 . . . . 1.0 109.504 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.12 -49.39 44.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.052 -1.03 . . . . 1.0 108.673 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . . . . . . . . . 73.1 t -56.98 -32.91 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' ALA . . . . . . . . . . . . . . . -69.08 -46.81 66.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.481 -0.762 . . . . 1.0 109.238 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.774 ' CB ' HD21 ' A' ' 653' ' ' LEU . 77.6 m -65.75 -39.43 91.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.27 -0.894 . . . . 1.0 109.691 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . 0.635 ' O ' ' CD ' ' A' ' 685' ' ' PRO . 0.1 OUTLIER -54.65 -34.32 62.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.193 -0.942 . . . . 1.0 110.575 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 12.0 ptt85 -78.8 -28.48 44.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.657 -1.277 . . . . 1.0 109.674 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.42 63.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.135 -0.978 . . . . 1.0 110.446 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 685' ' ' PRO . 0.9 OUTLIER -60.45 -50.05 87.41 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.157 -0.965 . . . . 1.0 112.338 -175.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' PRO . . . . . 0.635 ' CD ' ' O ' ' A' ' 681' ' ' SER . 16.8 Cg_exo -65.38 -41.93 14.41 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.604 1.536 . . . . 1.0 112.678 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.43 -40.09 92.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 120.909 -1.119 . . . . 1.0 108.682 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -75.77 -35.88 60.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.516 -0.74 . . . . 1.0 109.586 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.06 95.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.1 . . . . 1.0 108.87 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.433 -0.792 . . . . 1.0 109.376 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.82 -43.04 72.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 1.0 108.922 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.69 -36.2 78.18 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' ALA . . . . . . . . . . . . . . . -60.69 -35.87 77.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 1.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 25.4 m -68.15 -35.16 77.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 1.0 109.726 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.533 ' CE2' ' OE1' ' A' ' 642' ' ' GLN . 3.2 m-30 -65.03 -42.13 94.61 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 1.0 108.789 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 699' ' ' ALA . 8.9 mp -62.76 -35.62 80.41 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.251 -0.906 . . . . 1.0 108.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 699' ' ' ALA . 52.3 m170 -70.48 -40.68 73.48 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.404 -0.81 . . . . 1.0 109.654 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' GLY . . . . . . . . . . . . . . . -60.68 -26.17 64.48 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.166 -1.574 . . . . 1.0 109.166 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' ASN . . . . . 0.515 HD21 ' CD1' ' A' ' 639' ' ' LEU . 30.7 p30 -119.34 3.29 11.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.464 -1.021 . . . . 1.0 109.531 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 695' ' ' LEU . . . -49.74 -39.89 39.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 1.0 109.396 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 704' ' ' ARG . 36.4 m -51.22 -35.23 35.71 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.223 -0.923 . . . . 1.0 109.72 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' LEU . . . . . . . . . . . . . 95.0 mt -87.29 -41.07 13.94 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.166 -0.959 . . . . 1.0 110.796 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 698' ' ' ASN . 25.8 mt -56.43 -32.96 65.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.878 -1.139 . . . . 1.0 108.864 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 557' ' ' ALA . 8.8 m-85 -116.53 -75.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -0.838 . . . . 1.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 700' ' ' SER . 60.6 ttt-85 -67.51 64.51 0.07 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.328 -0.858 . . . . 1.0 109.256 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 703' ' ' PHE . 94.6 mtt180 -49.92 -31.9 13.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.268 -0.895 . . . . 1.0 109.48 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' THR . . . . . . . . . . . . . 20.3 p -69.92 154.04 42.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.939 . . . . 1.0 109.489 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -162.82 92.42 0.78 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 1.0 109.435 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.993 -1.003 . . . . 1.0 109.487 -179.971 . . . . . . . . 0 0 . 1 stop_ save_