data_1ef5_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 1ef5 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.241 0.544 . . . . 3.5600000000000001 110.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 670' ' ' THR . 4.3 m-20 45.05 84.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 2.1899999999999999 110.202 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 670' ' ' THR . 0.2 OUTLIER -160.02 133.76 7.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 1.8300000000000001 110.222 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 668' ' ' MET . 1.3 m -152.61 142.64 22.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.1000000000000001 110.212 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 668' ' ' MET . 2.2 tt -79.9 121.16 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.26 -0.9 . . . . 1.49 110.229 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.525 ' CD1' HD13 ' A' ' 669' ' ' LEU . 1.3 pt -106.81 119.38 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.6699999999999999 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 665' ' ' LYS . 3.0 ttm180 -109.95 149.74 29.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.843 . . . . 3.3199999999999998 109.884 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . 0.508 ' N ' ' HG2' ' A' ' 653' ' ' ARG . 4.2 mp -149.52 114.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.054 -1.029 . . . . 1.76 110.716 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 664' ' ' TYR . 51.4 p -124.66 101.66 7.22 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.264 -0.898 . . . . 1.6499999999999999 110.002 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' VAL . . . . . 0.527 ' CG1' ' HB2' ' A' ' 730' ' ' LEU . 6.4 m -101.72 56.5 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.256 -0.903 . . . . 1.5600000000000001 110.578 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 656' ' ' VAL . 35.8 mm-40 -154.76 64.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 2.0600000000000001 110.351 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 659' ' ' ASN . 2.5 t70 42.06 -142.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.365 -0.834 . . . . 2.5699999999999998 110.308 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 658' ' ' ASP . 2.0 m-20 57.64 114.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.265 -0.897 . . . . 5.6799999999999997 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -89.53 12.73 15.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 4.3399999999999999 110.229 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 662' ' ' ASN . . . -140.66 -47.38 0.06 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.555 -1.418 . . . . 2.3399999999999999 109.555 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 659' ' ' ASN . 0.8 OUTLIER -43.06 117.21 1.03 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 2.3599999999999999 110.155 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' MET . . . . . 0.434 ' O ' ' HG3' ' A' ' 663' ' ' MET . 2.8 ptt? -90.69 142.76 27.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.177 -0.952 . . . . 2.6899999999999999 110.22 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' TYR . . . . . 0.574 ' CE1' HD13 ' A' ' 688' ' ' LEU . 0.6 OUTLIER -110.05 -78.17 0.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.252 -0.905 . . . . 3.7999999999999998 110.227 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.55 ' CG ' ' HA ' ' A' ' 682' ' ' ALA . 0.0 OUTLIER -104.21 167.88 9.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 2.5899999999999999 110.517 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 653' ' ' ARG . 0.1 OUTLIER 173.09 48.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.582 -0.699 . . . . 1.76 109.549 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' ILE . . . . . 0.519 HG13 ' CD1' ' A' ' 669' ' ' LEU . 11.4 pt -95.06 132.69 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 1.99 110.487 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' MET . . . . . 0.509 ' CG ' ' O ' ' A' ' 668' ' ' MET . 6.6 ptt? -86.7 60.8 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 3.1299999999999999 110.095 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 652' ' ' ILE . 1.3 mt -44.17 169.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.257 -0.902 . . . . 1.96 110.201 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 671' ' ' SER . 7.9 m -43.25 -69.19 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 2.7799999999999998 110.044 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 670' ' ' THR . 0.2 OUTLIER 170.13 58.3 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 2.9199999999999999 110.263 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.508 ' HG2' ' ND2' ' A' ' 715' ' ' ASN . 0.1 OUTLIER -179.5 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.9399999999999999 110.414 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . 0.524 ' HB3' ' CG2' ' A' ' 678' ' ' VAL . 0.3 OUTLIER 170.29 139.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 2.1099999999999999 109.655 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' LYS . . . . . 0.665 ' O ' ' O ' ' A' ' 675' ' ' THR . 8.2 tptp -174.74 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.907 -1.121 . . . . 2.4700000000000002 111.272 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' THR . . . . . 0.665 ' O ' ' O ' ' A' ' 674' ' ' LYS . 0.6 OUTLIER -38.7 -179.55 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.28 0 O-C-N 122.068 -0.395 . . . . 1.23 111.673 -179.235 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' PRO . . . . . 0.624 ' HD2' ' HB ' ' A' ' 675' ' ' THR . 35.9 Cg_exo -28.2 -27.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.914 1.743 . . . . 0.47999999999999998 113.099 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ALA . . . . . 0.646 ' N ' ' O ' ' A' ' 675' ' ' THR . . . -60.99 -53.81 52.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.379 -1.451 . . . . 1.1599999999999999 109.178 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . 0.524 ' CG2' ' HB3' ' A' ' 673' ' ' ASP . 1.0 OUTLIER -72.79 -36.15 51.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.483 -0.761 . . . . 1.23 109.791 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.531 ' CG2' ' HD3' ' A' ' 692' ' ' PRO . 96.9 mt -56.42 -28.8 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 1.29 110.022 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' GLN . . . . . 0.517 ' CG ' ' HB2' ' A' ' 684' ' ' SER . 45.8 tt0 -83.4 -34.6 25.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 2.1699999999999999 110.168 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 685' ' ' LYS . 1.2 mtt180 -60.96 -34.33 74.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 3.1600000000000001 110.472 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ALA . . . . . 0.55 ' HA ' ' CG ' ' A' ' 665' ' ' LYS . . . -90.17 -34.71 15.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.093 -1.005 . . . . 1.48 110.73 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' MET . . . . . 0.529 ' CE ' ' OH ' ' A' ' 696' ' ' TYR . 4.1 mtm -90.06 -72.28 0.57 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.116 -0.99 . . . . 3.2599999999999998 110.603 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' SER . . . . . 0.517 ' HB2' ' CG ' ' A' ' 680' ' ' GLN . 0.3 OUTLIER -44.17 -31.47 0.98 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 1.27 109.763 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 681' ' ' ARG . 4.0 tppt? -61.92 -84.37 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.291 -0.881 . . . . 2.4700000000000002 109.485 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' HIS . . . . . 0.581 ' O ' ' CB ' ' A' ' 687' ' ' ASN . 0.1 OUTLIER -48.34 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.552 -1.259 . . . . 1.6100000000000001 108.37 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' ASN . . . . . 0.581 ' CB ' ' O ' ' A' ' 686' ' ' HIS . 0.7 OUTLIER 159.31 56.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.66 -0.65 . . . . 2.2599999999999998 110.734 178.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' A' ' 688' ' ' LEU . 0.0 OUTLIER -125.71 -163.86 1.25 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.55 -1.344 . . . . 2.25 110.647 179.444 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 688' ' ' LEU . 0.2 OUTLIER -40.19 165.45 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.54 -0.725 . . . . 2.5 111.088 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.542 ' O ' ' O ' ' A' ' 691' ' ' ASP . 60.2 p -132.01 147.18 52.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.351 -0.843 . . . . 1.98 110.162 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER 51.86 125.54 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.237 0 O-C-N 121.716 -0.615 . . . . 1.53 111.247 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 696' ' ' TYR . 37.1 Cg_endo -87.22 32.69 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 121.441 1.427 . . . . 0.65000000000000002 110.575 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -55.9 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.845 -0.534 . . . . 1.3 110.845 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 695' ' ' GLU . 39.6 mt-10 -107.86 -40.34 5.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 2.0699999999999998 110.368 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 733' ' ' LYS . 0.3 OUTLIER -40.83 -44.76 2.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.395 -0.815 . . . . 2.25 110.085 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 692' ' ' PRO . 1.2 p90 -149.23 154.93 39.82 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.994 -0.682 . . . . 2.1899999999999999 109.764 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -122.13 160.87 24.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.041 . . . . 2.23 110.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 692' ' ' PRO . 0.9 OUTLIER -123.44 178.89 4.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.466 -0.771 . . . . 1.5600000000000001 109.848 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 698' ' ' LEU . 47.3 t -158.37 110.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.203 -0.936 . . . . 1.3799999999999999 110.143 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . 0.566 ' HG3' ' CD1' ' A' ' 728' ' ' PHE . 3.1 mp0 -81.85 110.61 17.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 2.4399999999999999 110.012 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' VAL . . . . . . . . . . . . . 39.1 t -84.71 128.88 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.383 -0.823 . . . . 1.6299999999999999 110.31 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' ILE . . . . . 0.519 ' CD1' ' HG3' ' A' ' 723' ' ' GLN . 9.6 mm -121.13 -88.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.343 -0.848 . . . . 1.24 110.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' SER . . . . . 0.502 ' N ' ' CG2' ' A' ' 702' ' ' ILE . 0.6 OUTLIER -177.41 157.26 1.28 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 1.72 110.07 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 703' ' ' SER . 2.9 mt-10 56.67 -94.08 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 1.3200000000000001 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -147.4 77.46 1.44 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 2.1800000000000002 110.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' LYS . . . . . 0.518 ' CD ' ' OE1' ' A' ' 723' ' ' GLN . 0.1 OUTLIER -155.23 76.62 0.98 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 2.6099999999999999 110.318 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.49 139.79 50.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 2.1499999999999999 110.164 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . 0.549 ' CD1' ' CG2' ' A' ' 716' ' ' VAL . 30.9 mt -109.9 163.24 13.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.203 -0.936 . . . . 1.97 110.152 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 710' ' ' ILE . 3.1 t -151.01 162.41 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.238 -0.914 . . . . 1.22 110.215 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' ILE . . . . . 0.543 ' CG2' ' HD2' ' A' ' 711' ' ' PRO . 2.6 mp 58.39 151.04 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.388 -0.82 . . . . 1.5 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' A' ' 710' ' ' ILE . 22.1 Cg_endo -64.18 -159.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.911 1.48 . . . . 0.5 110.919 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 675' ' ' THR . 0.1 OUTLIER 67.08 4.42 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.626 -0.671 . . . . 1.3799999999999999 110.954 179.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' SER . . . . . 0.542 ' N ' HG21 ' A' ' 675' ' ' THR . 0.1 OUTLIER -70.08 106.99 3.45 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.529 -1.286 . . . . 1.03 107.529 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 715' ' ' ASN . . . -81.61 60.53 4.62 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.489 -0.757 . . . . 1.3600000000000001 112.194 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 717' ' ' PHE . 1.1 m-20 68.73 16.46 8.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.204 -0.935 . . . . 3.04 109.873 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' VAL . . . . . 0.549 ' CG2' ' CD1' ' A' ' 708' ' ' LEU . 4.1 m -40.67 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 CA-C-O 121.52 0.676 . . . . 1.49 110.187 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' PHE . . . . . 0.658 ' CG ' ' N ' ' A' ' 718' ' ' TYR . 0.0 OUTLIER 171.9 -62.05 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.901 -0.778 . . . . 2.48 108.901 -179.52 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' TYR . . . . . 0.658 ' N ' ' CG ' ' A' ' 717' ' ' PHE . 0.1 OUTLIER -73.31 -14.36 61.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.286 -0.883 . . . . 2.5600000000000001 109.373 179.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.96 8.89 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.492 -0.755 . . . . 1.6100000000000001 110.295 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' A' ' 721' ' ' ASN . 5.2 mtt -127.71 -15.69 4.89 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 3.3500000000000001 111.342 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 717' ' ' PHE . 0.1 OUTLIER -177.1 -151.5 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.836 -1.165 . . . . 1.8899999999999999 111.382 -179.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 723' ' ' GLN . 1.4 p -142.36 -165.47 2.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.436 -0.79 . . . . 1.6299999999999999 109.695 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' GLN . . . . . 0.523 ' O ' ' CG2' ' A' ' 724' ' ' VAL . 0.3 OUTLIER 178.12 105.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.052 -1.03 . . . . 2.04 110.868 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 723' ' ' GLN . 5.0 m 38.24 -162.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.563 -0.711 . . . . 1.75 111.295 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -78.7 169.58 18.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.492 -0.755 . . . . 1.99 110.226 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' PHE . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 717' ' ' PHE . 3.0 m-30 -110.82 127.17 55.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 3.29 110.936 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' ASP . . . . . 0.473 ' C ' ' CD1' ' A' ' 728' ' ' PHE . 7.7 p-10 -135.28 114.63 12.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 1.3300000000000001 109.586 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.566 ' CD1' ' HG3' ' A' ' 700' ' ' GLN . 3.7 m-30 -111.37 124.79 52.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.177 -0.952 . . . . 2.2999999999999998 110.929 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' ILE . . . . . . . . . . . . . 30.7 mm -111.74 123.01 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 2.3399999999999999 109.367 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 730' ' ' LEU . 0.3 OUTLIER -118.67 155.55 30.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.196 -0.94 . . . . 2.0899999999999999 110.334 -179.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER -153.39 153.85 33.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 2.8399999999999999 110.605 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.467 ' HD2' ' HG2' ' A' ' 689' ' ' GLU . 0.0 OUTLIER -51.58 169.26 0.06 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.421 -0.799 . . . . 2.8700000000000001 110.693 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 696' ' ' TYR . 10.5 mmtt -151.93 -152.37 0.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.409 -0.807 . . . . 2.6099999999999999 109.843 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 734' ' ' ASN . 31.6 p-10 . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 118.005 -0.998 . . . . 5.1299999999999999 110.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.241 0.544 . . . . 3.56 110.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 649' ' ' THR . 4.3 m-20 45.05 84.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 2.19 110.202 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 648' ' ' ASP . 0.2 OUTLIER -160.02 133.76 7.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 1.36 110.222 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 650' ' ' CYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 668' ' ' MET . 1.3 m -152.61 142.64 22.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.01 110.212 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 651' ' ' ILE . 2.2 tt -79.9 121.16 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.26 -0.9 . . . . 0.81 110.229 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.709 HD11 ' CD1' ' A' ' 669' ' ' LEU . 1.3 pt -106.81 119.38 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.01 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ARG . . . . . 0.824 ' C ' HD12 ' A' ' 654' ' ' ILE . 3.0 ttm180 -109.95 149.74 29.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.843 . . . . 2.8 109.884 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 653' ' ' ARG . 4.2 mp -149.52 114.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.054 -1.029 . . . . 1.1 110.716 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 664' ' ' TYR . 51.4 p -124.66 101.66 7.22 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.264 -0.898 . . . . 1.42 110.002 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' VAL . . . . . 1.04 HG21 ' SD ' ' A' ' 683' ' ' MET . 6.4 m -101.72 56.5 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.256 -0.903 . . . . 1.56 110.578 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 664' ' ' TYR . 35.8 mm-40 -154.76 64.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 2.06 110.351 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 659' ' ' ASN . 2.5 t70 42.06 -142.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.365 -0.834 . . . . 2.57 110.308 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 662' ' ' ASN . 2.0 m-20 57.64 114.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.265 -0.897 . . . . 4.97 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -89.53 12.73 15.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 3.77 110.229 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 662' ' ' ASN . . . -140.66 -47.38 0.06 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.555 -1.418 . . . . 2.03 109.555 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ASN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 659' ' ' ASN . 0.8 OUTLIER -43.06 117.21 1.03 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 2.06 110.155 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 663' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 663' ' ' MET . 2.8 ptt? -90.69 142.76 27.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.177 -0.952 . . . . 2.23 110.22 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' TYR . . . . . 0.503 ' HB3' ' O ' ' A' ' 654' ' ' ILE . 0.6 OUTLIER -110.05 -78.17 0.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.252 -0.905 . . . . 3.26 110.227 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 682' ' ' ALA . 0.0 OUTLIER -104.21 167.88 9.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 1.98 110.517 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 666' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 652' ' ' ILE . 0.1 OUTLIER 173.09 48.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.582 -0.699 . . . . 1.29 109.549 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 667' ' ' ILE . . . . . 0.955 HD11 HD11 ' A' ' 669' ' ' LEU . 11.4 pt -95.06 132.69 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 1.33 110.487 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' MET . . . . . 0.509 ' CG ' ' O ' ' A' ' 668' ' ' MET . 6.6 ptt? -86.7 60.8 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 2.62 110.095 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.955 HD11 HD11 ' A' ' 667' ' ' ILE . 1.3 mt -44.17 169.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.257 -0.902 . . . . 1.45 110.201 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' THR . . . . . 0.66 HG22 ' OG ' ' A' ' 671' ' ' SER . 7.9 m -43.25 -69.19 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 2.49 110.044 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' SER . . . . . 0.66 ' OG ' HG22 ' A' ' 670' ' ' THR . 0.2 OUTLIER 170.13 58.3 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 2.53 110.263 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 673' ' ' ASP . 0.1 OUTLIER -179.5 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.72 110.414 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ASP . . . . . 0.569 ' H ' HD22 ' A' ' 715' ' ' ASN . 0.3 OUTLIER 170.29 139.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 2.11 109.655 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 674' ' ' LYS . . . . . 0.665 ' O ' ' O ' ' A' ' 675' ' ' THR . 8.2 tptp -174.74 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.907 -1.121 . . . . 2.0 111.272 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' THR . . . . . 0.904 HG23 ' O ' ' A' ' 713' ' ' SER . 0.6 OUTLIER -38.7 -179.55 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.28 0 O-C-N 122.068 -0.395 . . . . 0.54 111.673 -179.235 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 676' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' A' ' 675' ' ' THR . 35.9 Cg_exo -28.2 -27.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.914 1.743 . . . . 0.42 113.099 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ALA . . . . . 0.646 ' N ' ' O ' ' A' ' 675' ' ' THR . . . -60.99 -53.81 52.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.379 -1.451 . . . . 0.55 109.178 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 673' ' ' ASP . 1.0 OUTLIER -72.79 -36.15 51.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.483 -0.761 . . . . 0.67 109.791 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.91 HG21 ' HD3' ' A' ' 692' ' ' PRO . 96.9 mt -56.42 -28.8 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.65 110.022 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 680' ' ' GLN . . . . . 0.532 ' CG ' ' HB2' ' A' ' 684' ' ' SER . 45.8 tt0 -83.4 -34.6 25.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 1.69 110.168 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 685' ' ' LYS . 1.2 mtt180 -60.96 -34.33 74.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 2.72 110.472 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ALA . . . . . 0.512 ' HA ' ' CG ' ' A' ' 665' ' ' LYS . . . -90.17 -34.71 15.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.093 -1.005 . . . . 1.03 110.73 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' MET . . . . . 1.04 ' SD ' HG21 ' A' ' 656' ' ' VAL . 4.1 mtm -90.06 -72.28 0.57 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.116 -0.99 . . . . 2.61 110.603 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 684' ' ' SER . . . . . 0.532 ' HB2' ' CG ' ' A' ' 680' ' ' GLN . 0.3 OUTLIER -44.17 -31.47 0.98 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.9 109.763 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 685' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 681' ' ' ARG . 4.0 tppt? -61.92 -84.37 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.291 -0.881 . . . . 1.92 109.485 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 686' ' ' HIS . . . . . 0.611 ' O ' ' ND2' ' A' ' 687' ' ' ASN . 0.1 OUTLIER -48.34 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.552 -1.259 . . . . 1.24 108.37 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 687' ' ' ASN . . . . . 0.705 ' H ' HD13 ' A' ' 688' ' ' LEU . 1.7 p30 159.31 56.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.66 -0.65 . . . . 1.76 110.734 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 688' ' ' LEU . . . . . 0.839 ' N ' HD13 ' A' ' 688' ' ' LEU . 0.0 OUTLIER -125.71 -163.86 1.25 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.55 -1.344 . . . . 1.67 110.647 179.444 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 689' ' ' GLU . . . . . 0.482 ' HG2' ' HD2' ' A' ' 732' ' ' LYS . 0.2 OUTLIER -40.19 165.45 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.54 -0.725 . . . . 2.5 111.088 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.542 ' O ' ' O ' ' A' ' 691' ' ' ASP . 60.2 p -132.01 147.18 52.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.351 -0.843 . . . . 1.64 110.162 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER 51.86 125.54 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.237 0 O-C-N 121.716 -0.615 . . . . 1.53 111.247 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 692' ' ' PRO . . . . . 0.91 ' HD3' HG21 ' A' ' 679' ' ' ILE . 37.1 Cg_endo -87.22 32.69 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 121.441 1.427 . . . . 0.5 110.575 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -55.9 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.845 -0.534 . . . . 0.79 110.845 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 695' ' ' GLU . 39.6 mt-10 -107.86 -40.34 5.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 2.07 110.368 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 695' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 694' ' ' GLU . 0.3 OUTLIER -40.83 -44.76 2.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.395 -0.815 . . . . 2.25 110.085 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 696' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 692' ' ' PRO . 1.2 p90 -149.23 154.93 39.82 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.994 -0.682 . . . . 1.32 109.764 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -122.13 160.87 24.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.041 . . . . 2.23 110.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.862 ' HB3' HD23 ' A' ' 730' ' ' LEU . 0.9 OUTLIER -123.44 178.89 4.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.466 -0.771 . . . . 0.98 109.848 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 699' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 698' ' ' LEU . 47.3 t -158.37 110.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.203 -0.936 . . . . 0.65 110.143 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 700' ' ' GLN . . . . . 0.587 ' HG3' ' CD1' ' A' ' 728' ' ' PHE . 3.1 mp0 -81.85 110.61 17.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 1.93 110.012 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 701' ' ' VAL . . . . . 0.4 ' HB ' ' OD2' ' A' ' 727' ' ' ASP . 39.1 t -84.71 128.88 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.383 -0.823 . . . . 0.96 110.31 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 702' ' ' ILE . . . . . 1.006 HD12 ' HG3' ' A' ' 723' ' ' GLN . 9.6 mm -121.13 -88.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.343 -0.848 . . . . 0.61 110.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 703' ' ' SER . . . . . 0.759 ' N ' HG22 ' A' ' 702' ' ' ILE . 0.6 OUTLIER -177.41 157.26 1.28 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 1.35 110.07 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 704' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 703' ' ' SER . 2.9 mt-10 56.67 -94.08 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 1.32 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 705' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -147.4 77.46 1.44 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 2.18 110.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' LYS . . . . . 0.518 ' CD ' ' OE1' ' A' ' 723' ' ' GLN . 0.1 OUTLIER -155.23 76.62 0.98 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 2.17 110.318 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 707' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.49 139.79 50.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 2.15 110.164 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' LEU . . . . . 0.795 HD13 ' CG2' ' A' ' 716' ' ' VAL . 30.9 mt -109.9 163.24 13.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.203 -0.936 . . . . 1.42 110.152 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 709' ' ' VAL . . . . . 1.015 HG12 HD12 ' A' ' 710' ' ' ILE . 3.1 t -151.01 162.41 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.238 -0.914 . . . . 0.55 110.215 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 710' ' ' ILE . . . . . 1.015 HD12 HG12 ' A' ' 709' ' ' VAL . 2.6 mp 58.39 151.04 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.388 -0.82 . . . . 0.92 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 711' ' ' PRO . . . . . 0.83 ' HD2' HG23 ' A' ' 710' ' ' ILE . 22.1 Cg_endo -64.18 -159.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.911 1.48 . . . . 0.46 110.919 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 712' ' ' ASP . . . . . 0.667 ' CA ' HG22 ' A' ' 675' ' ' THR . 0.1 OUTLIER 67.08 4.42 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.626 -0.671 . . . . 1.38 110.954 179.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 713' ' ' SER . . . . . 0.904 ' O ' HG23 ' A' ' 675' ' ' THR . 0.1 OUTLIER -70.08 106.99 3.45 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.529 -1.286 . . . . 0.7 107.529 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 714' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 715' ' ' ASN . . . -81.61 60.53 4.62 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.489 -0.757 . . . . 1.07 112.194 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.569 HD22 ' H ' ' A' ' 673' ' ' ASP . 0.0 OUTLIER 68.73 16.46 8.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.204 -0.935 . . . . 2.32 109.873 178.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 716' ' ' VAL . . . . . 0.795 ' CG2' HD13 ' A' ' 708' ' ' LEU . 4.1 m -40.67 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 CA-C-O 121.52 0.676 . . . . 1.39 110.187 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 717' ' ' PHE . . . . . 0.658 ' CG ' ' N ' ' A' ' 718' ' ' TYR . 0.0 OUTLIER 171.9 -62.05 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.901 -0.778 . . . . 1.7 108.901 -179.52 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 718' ' ' TYR . . . . . 0.658 ' N ' ' CG ' ' A' ' 717' ' ' PHE . 0.1 OUTLIER -73.31 -14.36 61.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.286 -0.883 . . . . 1.82 109.373 179.289 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.96 8.89 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.492 -0.755 . . . . 1.26 110.295 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' MET . . . . . 0.452 ' O ' ' HB3' ' A' ' 721' ' ' ASN . 5.2 mtt -127.71 -15.69 4.89 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 2.78 111.342 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 721' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 717' ' ' PHE . 21.4 p-10 -177.1 -151.5 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.836 -1.165 . . . . 1.89 111.382 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 722' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 723' ' ' GLN . 1.4 p -142.36 -165.47 2.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.436 -0.79 . . . . 1.42 109.695 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' GLN . . . . . 1.006 ' HG3' HD12 ' A' ' 702' ' ' ILE . 0.3 OUTLIER 178.12 105.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.052 -1.03 . . . . 1.79 110.868 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 724' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 723' ' ' GLN . 5.0 m 38.24 -162.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.563 -0.711 . . . . 1.13 111.295 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -78.7 169.58 18.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.492 -0.755 . . . . 1.29 110.226 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' PHE . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 717' ' ' PHE . 3.0 m-30 -110.82 127.17 55.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 2.44 110.936 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 727' ' ' ASP . . . . . 0.473 ' C ' ' CD1' ' A' ' 728' ' ' PHE . 7.7 p-10 -135.28 114.63 12.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 1.33 109.586 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.587 ' CD1' ' HG3' ' A' ' 700' ' ' GLN . 3.7 m-30 -111.37 124.79 52.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.177 -0.952 . . . . 1.41 110.929 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 729' ' ' ILE . . . . . . . . . . . . . 30.7 mm -111.74 123.01 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 1.71 109.367 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' LEU . . . . . 0.862 HD23 ' HB3' ' A' ' 698' ' ' LEU . 0.3 OUTLIER -118.67 155.55 30.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.196 -0.94 . . . . 1.53 110.334 -179.281 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 731' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER -153.39 153.85 33.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 2.42 110.605 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER -51.58 169.26 0.06 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.421 -0.799 . . . . 2.36 110.693 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 733' ' ' LYS . . . . . 0.595 ' CG ' ' HA ' ' A' ' 696' ' ' TYR . 10.5 mmtt -151.93 -152.37 0.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.409 -0.807 . . . . 2.09 109.843 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 734' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 734' ' ' ASN . 31.6 p-10 . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 118.005 -0.998 . . . . 4.46 110.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.241 0.544 . . . . 3.56 110.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 649' ' ' THR . 4.3 m-20 45.05 84.58 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 2.19 110.202 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 648' ' ' ASP . 0.2 OUTLIER -160.02 133.76 7.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 1.36 110.222 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 668' ' ' MET . 1.3 m -152.61 142.64 22.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.01 110.212 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 651' ' ' ILE . 2.2 tt -79.9 121.16 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.26 -0.9 . . . . 0.81 110.229 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.709 HD11 ' CD1' ' A' ' 669' ' ' LEU . 1.3 pt -106.81 119.38 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 1.01 110.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ARG . . . . . 0.824 ' C ' HD12 ' A' ' 654' ' ' ILE . 3.0 ttm180 -109.95 149.74 29.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.352 -0.843 . . . . 2.8 109.884 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 653' ' ' ARG . 4.2 mp -149.52 114.45 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.054 -1.029 . . . . 1.1 110.716 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' A' ' 664' ' ' TYR . 51.4 p -124.66 101.66 7.22 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.264 -0.898 . . . . 1.42 110.002 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' VAL . . . . . 1.04 HG21 ' SD ' ' A' ' 683' ' ' MET . 6.4 m -101.72 56.5 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.256 -0.903 . . . . 1.56 110.578 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.459 ' HB2' ' CE2' ' A' ' 664' ' ' TYR . 35.8 mm-40 -154.76 64.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 2.06 110.351 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 659' ' ' ASN . 2.5 t70 42.06 -142.96 0.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.365 -0.834 . . . . 2.57 110.308 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 662' ' ' ASN . 2.0 m-20 57.64 114.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.265 -0.897 . . . . 4.97 110.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -89.53 12.73 15.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 3.77 110.229 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 662' ' ' ASN . . . -140.66 -47.38 0.06 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.555 -1.418 . . . . 2.03 109.555 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 659' ' ' ASN . 0.8 OUTLIER -43.06 117.21 1.03 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.287 -1.125 . . . . 2.06 110.155 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 663' ' ' MET . 2.8 ptt? -90.69 142.76 27.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.177 -0.952 . . . . 2.23 110.22 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' TYR . . . . . 0.503 ' HB3' ' O ' ' A' ' 654' ' ' ILE . 0.6 OUTLIER -110.05 -78.17 0.59 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.252 -0.905 . . . . 3.26 110.227 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 682' ' ' ALA . 0.0 OUTLIER -104.21 167.88 9.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 1.98 110.517 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 652' ' ' ILE . 0.1 OUTLIER 173.09 48.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.582 -0.699 . . . . 1.29 109.549 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' ILE . . . . . 0.955 HD11 HD11 ' A' ' 669' ' ' LEU . 11.4 pt -95.06 132.69 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.356 -0.84 . . . . 1.33 110.487 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . 0.509 ' CG ' ' O ' ' A' ' 668' ' ' MET . 6.6 ptt? -86.7 60.8 6.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 2.62 110.095 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.955 HD11 HD11 ' A' ' 667' ' ' ILE . 1.3 mt -44.17 169.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.257 -0.902 . . . . 1.45 110.201 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' THR . . . . . 0.66 HG22 ' OG ' ' A' ' 671' ' ' SER . 7.9 m -43.25 -69.19 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.299 -0.876 . . . . 2.49 110.044 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . 0.66 ' OG ' HG22 ' A' ' 670' ' ' THR . 0.2 OUTLIER 170.13 58.3 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 2.53 110.263 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.511 ' HG2' ' ND2' ' A' ' 715' ' ' ASN . 0.1 OUTLIER -179.5 104.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.142 -0.974 . . . . 2.72 110.414 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . 0.516 ' HB3' ' CG2' ' A' ' 678' ' ' VAL . 0.3 OUTLIER 170.29 139.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.348 -0.845 . . . . 2.11 109.655 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' LYS . . . . . 0.665 ' O ' ' O ' ' A' ' 675' ' ' THR . 8.2 tptp -174.74 -75.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.907 -1.121 . . . . 2.0 111.272 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' THR . . . . . 0.904 HG23 ' O ' ' A' ' 713' ' ' SER . 0.6 OUTLIER -38.7 -179.55 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.28 0 O-C-N 122.068 -0.395 . . . . 0.54 111.673 -179.235 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' A' ' 675' ' ' THR . 35.9 Cg_exo -28.2 -27.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.914 1.743 . . . . 0.42 113.099 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ALA . . . . . 0.646 ' N ' ' O ' ' A' ' 675' ' ' THR . . . -60.99 -53.81 52.68 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.379 -1.451 . . . . 0.55 109.178 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 673' ' ' ASP . 1.0 OUTLIER -72.79 -36.15 51.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.483 -0.761 . . . . 0.67 109.791 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.91 HG21 ' HD3' ' A' ' 692' ' ' PRO . 96.9 mt -56.42 -28.8 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.65 110.022 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' GLN . . . . . 0.532 ' CG ' ' HB2' ' A' ' 684' ' ' SER . 45.8 tt0 -83.4 -34.6 25.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 1.69 110.168 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . 0.528 ' O ' ' CB ' ' A' ' 685' ' ' LYS . 1.2 mtt180 -60.96 -34.33 74.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 2.72 110.472 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ALA . . . . . 0.512 ' HA ' ' CG ' ' A' ' 665' ' ' LYS . . . -90.17 -34.71 15.74 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.093 -1.005 . . . . 1.03 110.73 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' MET . . . . . 1.04 ' SD ' HG21 ' A' ' 656' ' ' VAL . 4.1 mtm -90.06 -72.28 0.57 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.116 -0.99 . . . . 2.61 110.603 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . 0.532 ' HB2' ' CG ' ' A' ' 680' ' ' GLN . 0.3 OUTLIER -44.17 -31.47 0.98 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.9 109.763 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 681' ' ' ARG . 4.0 tppt? -61.92 -84.37 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.291 -0.881 . . . . 1.92 109.485 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' HIS . . . . . 0.581 ' O ' ' CB ' ' A' ' 687' ' ' ASN . 0.1 OUTLIER -48.34 -86.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 118.552 -1.259 . . . . 1.24 108.37 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' ASN . . . . . 0.705 ' H ' HD13 ' A' ' 688' ' ' LEU . 0.7 OUTLIER 159.31 56.59 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.66 -0.65 . . . . 1.76 110.734 178.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' LEU . . . . . 0.839 ' N ' HD13 ' A' ' 688' ' ' LEU . 0.0 OUTLIER -125.71 -163.86 1.25 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.55 -1.344 . . . . 1.67 110.647 179.444 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . 0.482 ' HG2' ' HD2' ' A' ' 732' ' ' LYS . 0.2 OUTLIER -40.19 165.45 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.54 -0.725 . . . . 2.5 111.088 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.542 ' O ' ' O ' ' A' ' 691' ' ' ASP . 60.2 p -132.01 147.18 52.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.351 -0.843 . . . . 1.64 110.162 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER 51.86 125.54 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.237 0 O-C-N 121.716 -0.615 . . . . 1.53 111.247 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' PRO . . . . . 0.91 ' HD3' HG21 ' A' ' 679' ' ' ILE . 37.1 Cg_endo -87.22 32.69 0.43 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 121.441 1.427 . . . . 0.5 110.575 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -55.9 -102.43 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.845 -0.534 . . . . 0.79 110.845 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 695' ' ' GLU . 39.6 mt-10 -107.86 -40.34 5.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 2.07 110.368 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 694' ' ' GLU . 0.3 OUTLIER -40.83 -44.76 2.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.395 -0.815 . . . . 2.25 110.085 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 692' ' ' PRO . 1.2 p90 -149.23 154.93 39.82 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.994 -0.682 . . . . 1.32 109.764 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -122.13 160.87 24.19 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.035 -1.041 . . . . 2.23 110.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.862 ' HB3' HD23 ' A' ' 730' ' ' LEU . 0.9 OUTLIER -123.44 178.89 4.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.466 -0.771 . . . . 0.98 109.848 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 698' ' ' LEU . 47.3 t -158.37 110.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.203 -0.936 . . . . 0.65 110.143 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . 0.587 ' HG3' ' CD1' ' A' ' 728' ' ' PHE . 3.1 mp0 -81.85 110.61 17.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.213 -0.93 . . . . 1.93 110.012 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' VAL . . . . . 0.4 ' HB ' ' OD2' ' A' ' 727' ' ' ASP . 39.1 t -84.71 128.88 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.383 -0.823 . . . . 0.96 110.31 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' ILE . . . . . 1.006 HD12 ' HG3' ' A' ' 723' ' ' GLN . 9.6 mm -121.13 -88.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.343 -0.848 . . . . 0.61 110.1 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' SER . . . . . 0.759 ' N ' HG22 ' A' ' 702' ' ' ILE . 0.6 OUTLIER -177.41 157.26 1.28 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.264 -0.898 . . . . 1.35 110.07 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 703' ' ' SER . 2.9 mt-10 56.67 -94.08 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 1.32 110.266 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -147.4 77.46 1.44 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 2.18 110.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' LYS . . . . . 0.518 ' CD ' ' OE1' ' A' ' 723' ' ' GLN . 0.1 OUTLIER -155.23 76.62 0.98 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 2.17 110.318 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.49 139.79 50.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 2.15 110.164 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . 0.795 HD13 ' CG2' ' A' ' 716' ' ' VAL . 30.9 mt -109.9 163.24 13.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.203 -0.936 . . . . 1.42 110.152 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' VAL . . . . . 1.015 HG12 HD12 ' A' ' 710' ' ' ILE . 3.1 t -151.01 162.41 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.238 -0.914 . . . . 0.55 110.215 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' ILE . . . . . 1.015 HD12 HG12 ' A' ' 709' ' ' VAL . 2.6 mp 58.39 151.04 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.388 -0.82 . . . . 0.92 110.046 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . 0.83 ' HD2' HG23 ' A' ' 710' ' ' ILE . 22.1 Cg_endo -64.18 -159.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.911 1.48 . . . . 0.46 110.919 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' ASP . . . . . 0.667 ' CA ' HG22 ' A' ' 675' ' ' THR . 0.1 OUTLIER 67.08 4.42 3.6 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.626 -0.671 . . . . 1.38 110.954 179.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . 0.904 ' O ' HG23 ' A' ' 675' ' ' THR . 0.1 OUTLIER -70.08 106.99 3.45 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 107.529 -1.286 . . . . 0.7 107.529 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 715' ' ' ASN . . . -81.61 60.53 4.62 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.489 -0.757 . . . . 1.07 112.194 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 717' ' ' PHE . 1.1 m-20 68.73 16.46 8.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.204 -0.935 . . . . 2.32 109.873 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' VAL . . . . . 0.795 ' CG2' HD13 ' A' ' 708' ' ' LEU . 4.1 m -40.67 91.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 CA-C-O 121.52 0.676 . . . . 1.39 110.187 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' PHE . . . . . 0.658 ' CG ' ' N ' ' A' ' 718' ' ' TYR . 0.0 OUTLIER 171.9 -62.05 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.901 -0.778 . . . . 1.7 108.901 -179.52 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' TYR . . . . . 0.658 ' N ' ' CG ' ' A' ' 717' ' ' PHE . 0.1 OUTLIER -73.31 -14.36 61.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.286 -0.883 . . . . 1.82 109.373 179.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.96 8.89 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.492 -0.755 . . . . 1.26 110.295 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' MET . . . . . 0.452 ' O ' ' HB3' ' A' ' 721' ' ' ASN . 5.2 mtt -127.71 -15.69 4.89 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 2.78 111.342 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 717' ' ' PHE . 0.1 OUTLIER -177.1 -151.5 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.836 -1.165 . . . . 1.89 111.382 -179.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 723' ' ' GLN . 1.4 p -142.36 -165.47 2.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.436 -0.79 . . . . 1.42 109.695 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' GLN . . . . . 1.006 ' HG3' HD12 ' A' ' 702' ' ' ILE . 0.3 OUTLIER 178.12 105.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.052 -1.03 . . . . 1.79 110.868 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 723' ' ' GLN . 5.0 m 38.24 -162.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.563 -0.711 . . . . 1.13 111.295 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -78.7 169.58 18.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.492 -0.755 . . . . 1.29 110.226 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' PHE . . . . . 0.505 ' CZ ' ' CG ' ' A' ' 717' ' ' PHE . 3.0 m-30 -110.82 127.17 55.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 2.44 110.936 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' ASP . . . . . 0.473 ' C ' ' CD1' ' A' ' 728' ' ' PHE . 7.7 p-10 -135.28 114.63 12.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 1.33 109.586 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.587 ' CD1' ' HG3' ' A' ' 700' ' ' GLN . 3.7 m-30 -111.37 124.79 52.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.177 -0.952 . . . . 1.41 110.929 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' ILE . . . . . . . . . . . . . 30.7 mm -111.74 123.01 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 1.71 109.367 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' LEU . . . . . 0.862 HD23 ' HB3' ' A' ' 698' ' ' LEU . 0.3 OUTLIER -118.67 155.55 30.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.196 -0.94 . . . . 1.53 110.334 -179.281 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER -153.39 153.85 33.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 2.42 110.605 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 696' ' ' TYR . 0.0 OUTLIER -51.58 169.26 0.06 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.421 -0.799 . . . . 2.36 110.693 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . 0.595 ' CG ' ' HA ' ' A' ' 696' ' ' TYR . 10.5 mmtt -151.93 -152.37 0.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.409 -0.807 . . . . 2.09 109.843 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 734' ' ' ASN . 31.6 p-10 . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 118.005 -0.998 . . . . 4.46 110.342 -179.973 . . . . . . . . 1 1 . 1 stop_ save_