data_1hks_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 1hks _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 ' 43' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' A' ' 46' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m 56.01 21.13 4.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -1.141 . . . . 0.0 109.422 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.46 -46.72 0.4 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 43.1 t -44.57 108.25 0.71 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.493 -1.004 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 49' ' ' PHE . 4.8 Cg_exo -61.28 166.47 11.01 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 N-CA-C 109.683 -0.929 . . . . 0.0 109.683 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.99 6.08 1.73 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.891 . . . . 0.0 109.633 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CZ ' ' OH ' ' A' ' 107' ' ' TYR . 16.1 t80 -86.65 -69.24 0.69 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 109.478 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.38 -42.56 91.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.258 -0.901 . . . . 0.0 109.468 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.54 -40.58 38.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.449 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -63.16 -42.02 99.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.173 -0.954 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.7 -18.18 40.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 109.182 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -76.59 -53.86 7.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.27 -45.95 36.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 0.0 109.367 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 tp -46.38 -61.44 1.8 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -49.85 -31.12 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.558 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 59' ' ' ASP . 17.2 t70 -84.32 -128.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ASP . 75.2 m-20 53.24 171.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.826 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.36 -46.6 4.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -48.88 -27.71 3.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.553 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 p -99.69 31.72 3.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -87.09 44.11 1.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -170.26 -37.58 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.13 -0.981 . . . . 0.0 109.465 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -79.28 -29.59 42.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.344 -0.847 . . . . 0.0 108.993 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.66 136.0 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.061 -1.024 . . . . 0.0 109.638 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -155.79 179.83 8.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.78 150.44 29.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -83.07 126.31 32.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 109.53 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.2 mttt 46.15 -105.54 0.11 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.371 -0.83 . . . . 0.0 109.762 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.42 -90.67 0.07 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.59 54.32 0.37 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -89.89 -30.75 17.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.313 -1.11 . . . . 0.0 109.376 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 75' ' ' PHE . 12.2 p -171.13 -133.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.167 -0.958 . . . . 0.0 109.318 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.514 ' N ' ' OG ' ' A' ' 74' ' ' SER . 23.4 p90 -156.12 167.97 28.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.793 -1.192 . . . . 0.0 110.482 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.06 157.19 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.448 -0.782 . . . . 0.0 109.522 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.3 mt -129.3 78.71 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' OE1' ' OD1' ' A' ' 123' ' ' ASP . 20.3 mt-30 -47.9 -60.77 2.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.234 -0.916 . . . . 0.0 109.676 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -83.32 105.46 14.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.534 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -87.59 -1.34 57.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 109.514 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.54 -88.78 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.05 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.26 -18.6 0.63 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 83' ' ' PHE . 20.9 t80 -70.2 1.45 4.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.233 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.7 -61.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.329 -0.857 . . . . 0.0 110.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.22 34.85 0.42 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.146 -0.971 . . . . 0.0 110.707 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -157.67 7.48 0.15 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.704 -1.247 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' O ' ' OD1' ' A' ' 91' ' ' ASN . 77.1 mt -146.26 -31.58 0.36 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.821 -1.174 . . . . 0.0 109.757 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 19.2 mt -78.36 -34.04 1.0 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.073 -1.017 . . . . 0.0 112.227 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 88' ' ' LEU . 4.9 Cg_exo -65.87 -47.13 4.02 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 120.606 0.87 . . . . 0.0 109.924 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.89 26.22 0.34 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.173 -0.955 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 89' ' ' PRO . 24.3 m120 -150.28 -77.39 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.186 -0.946 . . . . 0.0 109.623 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CB ' ' NE2' ' A' ' 94' ' ' HIS . 65.0 m-85 -89.83 -0.53 57.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.21 -0.931 . . . . 0.0 109.763 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 94' ' ' HIS . 32.4 tttp 74.1 -60.68 0.52 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 109.941 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.454 ' C ' ' ND1' ' A' ' 94' ' ' HIS . 5.6 p80 -52.07 -177.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -144.54 -15.5 0.56 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.233 -0.917 . . . . 0.0 109.647 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -48.79 128.19 15.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 109.292 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -79.86 -67.16 0.79 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.949 . . . . 0.0 109.745 -179.529 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.62 -17.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.206 -0.934 . . . . 0.0 109.714 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' MET . 28.9 t -74.75 -40.78 61.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.239 -0.913 . . . . 0.0 108.723 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -67.25 -44.81 78.49 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.342 -0.849 . . . . 0.0 108.954 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -42.74 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.304 -0.873 . . . . 0.0 108.785 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -57.64 -26.31 61.42 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.997 -1.064 . . . . 0.0 108.667 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -78.47 -31.5 47.88 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.366 -0.833 . . . . 0.0 108.954 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.05 -34.38 73.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.0 108.936 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.465 ' N ' HD21 ' A' ' 105' ' ' ASN . 1.2 m-80 -65.67 -16.12 63.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 109.399 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.8 mtm -88.58 -32.42 18.14 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.426 ' OH ' ' CZ ' ' A' ' 49' ' ' PHE . 5.0 m-85 -79.56 -24.15 42.32 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.024 -1.047 . . . . 0.0 109.267 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.26 76.21 1.01 Allowed Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -124.32 165.29 17.93 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.555 -0.967 . . . . 0.0 108.734 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -150.47 82.39 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.884 . . . . 0.0 109.401 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -69.5 127.61 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.01 65.24 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 114' ' ' SER . 12.0 t -161.7 164.38 29.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.304 -0.872 . . . . 0.0 109.823 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 113' ' ' THR . 41.0 t 48.01 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 109.571 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.1 tt -172.67 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.21 -0.931 . . . . 0.0 109.16 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 3.5 p30 42.3 41.13 2.04 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 109.998 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -154.18 155.62 35.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.856 . . . . 0.0 109.394 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.39 144.34 6.86 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 120' ' ' LEU . . . -157.83 16.48 0.32 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 119' ' ' GLY . 0.3 OUTLIER -50.55 179.18 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -1.159 . . . . 0.0 109.403 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -46.29 127.84 9.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.256 -0.902 . . . . 0.0 109.677 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -171.19 98.06 0.2 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.049 -1.032 . . . . 0.0 109.235 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.521 ' N ' ' HE ' ' A' ' 124' ' ' ARG . 26.7 t70 -75.04 65.6 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 0.0 109.837 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.602 ' CG ' HH11 ' A' ' 124' ' ' ARG . 0.0 OUTLIER -153.54 -12.16 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.407 ' H ' ' H ' ' A' ' 124' ' ' ARG . 57.0 p-10 -131.98 20.83 4.52 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 128' ' ' GLU . 1.4 pm0 -39.57 137.37 0.85 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.931 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 126' ' ' GLU . 3.7 tt -30.56 83.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 CA-C-O 122.065 0.936 . . . . 0.0 111.074 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 126' ' ' GLU . 30.9 tt0 -90.01 118.77 29.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.406 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.438 ' O ' ' OG ' ' A' ' 74' ' ' SER . 29.1 m-85 -96.28 123.62 39.99 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -106.58 131.48 53.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.588 ' C ' ' H ' ' A' ' 133' ' ' PHE . 0.8 OUTLIER -150.46 98.96 3.21 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.313 -0.867 . . . . 0.0 109.015 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -64.24 23.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 121.095 1.196 . . . . 0.0 110.88 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.588 ' H ' ' C ' ' A' ' 131' ' ' HIS . 61.4 m-85 -140.96 30.99 1.8 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.922 -1.112 . . . . 0.0 108.939 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 134' ' ' PHE . 68.7 t80 -150.37 43.38 0.85 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.811 . . . . 0.0 108.975 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -89.87 -168.09 2.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.368 -0.833 . . . . 0.0 109.393 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 137' ' ' ASN . 14.8 mmm180 -85.4 -70.84 0.56 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 136' ' ' ARG . 8.3 m120 -58.35 -159.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -0.884 . . . . 0.0 109.606 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.4 m 50.81 72.31 1.27 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -71.9 44.34 0.64 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 C-N-CA 121.888 1.725 . . . . 0.0 110.284 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -143.4 5.65 1.44 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.75 -1.219 . . . . 0.0 109.75 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.38 -44.01 18.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.47 -50.61 40.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.264 -0.898 . . . . 0.0 109.55 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -75.5 58.36 1.02 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.404 -0.81 . . . . 0.0 109.831 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -160.08 -36.91 0.05 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.17 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 33.5 mt -79.09 126.12 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.265 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.535 ' CD ' ' N ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -150.31 179.12 8.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.067 -1.02 . . . . 0.0 109.65 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 148' ' ' LYS . 38.4 ttp180 -70.16 87.15 0.58 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.479 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 147' ' ' ARG . 7.1 tptm . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.88 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' A' ' 46' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m 56.01 21.13 4.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -1.141 . . . . 0.0 109.422 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.46 -46.72 0.4 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 43.1 t -44.57 108.25 0.71 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.493 -1.004 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -61.28 166.47 11.01 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 N-CA-C 109.683 -0.929 . . . . 0.0 109.683 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.99 6.08 1.73 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.891 . . . . 0.0 109.633 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.65 -69.24 0.69 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.38 -42.56 91.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.258 -0.901 . . . . 0.0 109.468 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.54 -40.58 38.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.449 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -63.16 -42.02 99.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.173 -0.954 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.5 mt -59.7 -18.18 40.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 109.182 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -76.59 -53.86 7.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.27 -45.95 36.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 0.0 109.367 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 tp -46.38 -61.44 1.8 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 53' ' ' LEU . 85.0 t -49.85 -31.12 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.558 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 59' ' ' ASP . 17.2 t70 -84.32 -128.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ASP . 75.2 m-20 53.24 171.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.826 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.36 -46.6 4.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -48.88 -27.71 3.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.553 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 p -99.69 31.72 3.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -87.09 44.11 1.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -170.26 -37.58 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.13 -0.981 . . . . 0.0 109.465 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -79.28 -29.59 42.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.344 -0.847 . . . . 0.0 108.993 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.66 136.0 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.061 -1.024 . . . . 0.0 109.638 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -155.79 179.83 8.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.78 150.44 29.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -83.07 126.31 32.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 109.53 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.2 mttt 46.15 -105.54 0.11 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.371 -0.83 . . . . 0.0 109.762 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.42 -90.67 0.07 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.59 54.32 0.37 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -89.89 -30.75 17.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.313 -1.11 . . . . 0.0 109.376 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 75' ' ' PHE . 12.2 p -171.13 -133.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.167 -0.958 . . . . 0.0 109.318 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.514 ' N ' ' OG ' ' A' ' 74' ' ' SER . 23.4 p90 -156.12 167.97 28.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.793 -1.192 . . . . 0.0 110.482 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 126' ' ' GLU . 2.4 p -147.06 157.19 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.448 -0.782 . . . . 0.0 109.522 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.635 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 34.3 mt -129.3 78.71 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' OE1' ' OD1' ' A' ' 123' ' ' ASP . 20.3 mt-30 -47.9 -60.77 2.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.234 -0.916 . . . . 0.0 109.676 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -83.32 105.46 14.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.534 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -87.59 -1.34 57.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 109.514 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.54 -88.78 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.05 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.26 -18.6 0.63 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.635 ' CZ ' HD13 ' A' ' 77' ' ' ILE . 20.9 t80 -70.2 1.45 4.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.233 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.7 -61.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.329 -0.857 . . . . 0.0 110.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.22 34.85 0.42 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.146 -0.971 . . . . 0.0 110.707 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -157.67 7.48 0.15 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.704 -1.247 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 77.1 mt -146.26 -31.58 0.36 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.821 -1.174 . . . . 0.0 109.757 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 19.2 mt -78.36 -34.04 1.0 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.073 -1.017 . . . . 0.0 112.227 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 88' ' ' LEU . 4.9 Cg_exo -65.87 -47.13 4.02 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 120.606 0.87 . . . . 0.0 109.924 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.89 26.22 0.34 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.173 -0.955 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -150.28 -77.39 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.186 -0.946 . . . . 0.0 109.623 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CB ' ' NE2' ' A' ' 94' ' ' HIS . 65.0 m-85 -89.83 -0.53 57.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.21 -0.931 . . . . 0.0 109.763 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 94' ' ' HIS . 32.4 tttp 74.1 -60.68 0.52 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 109.941 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.454 ' C ' ' ND1' ' A' ' 94' ' ' HIS . 5.6 p80 -52.07 -177.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -144.54 -15.5 0.56 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.233 -0.917 . . . . 0.0 109.647 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -48.79 128.19 15.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 109.292 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -79.86 -67.16 0.79 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.949 . . . . 0.0 109.745 -179.529 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.62 -17.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.206 -0.934 . . . . 0.0 109.714 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' MET . 28.9 t -74.75 -40.78 61.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.239 -0.913 . . . . 0.0 108.723 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -67.25 -44.81 78.49 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.342 -0.849 . . . . 0.0 108.954 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -42.74 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.304 -0.873 . . . . 0.0 108.785 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -57.64 -26.31 61.42 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.997 -1.064 . . . . 0.0 108.667 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -78.47 -31.5 47.88 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.366 -0.833 . . . . 0.0 108.954 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.05 -34.38 73.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.0 108.936 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.67 -16.12 63.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 109.399 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.8 mtm -88.58 -32.42 18.14 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.56 -24.15 42.32 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.024 -1.047 . . . . 0.0 109.267 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.26 76.21 1.01 Allowed Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -124.32 165.29 17.93 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.555 -0.967 . . . . 0.0 108.734 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -150.47 82.39 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.884 . . . . 0.0 109.401 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -69.5 127.61 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -89.01 65.24 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 127' ' ' ILE . 12.0 t -161.7 164.38 29.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.304 -0.872 . . . . 0.0 109.823 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 113' ' ' THR . 41.0 t 48.01 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 109.571 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.1 tt -172.67 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.21 -0.931 . . . . 0.0 109.16 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 3.5 p30 42.3 41.13 2.04 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 109.998 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -154.18 155.62 35.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.856 . . . . 0.0 109.394 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.39 144.34 6.86 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 120' ' ' LEU . . . -157.83 16.48 0.32 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 119' ' ' GLY . 0.3 OUTLIER -50.55 179.18 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -1.159 . . . . 0.0 109.403 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -46.29 127.84 9.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.256 -0.902 . . . . 0.0 109.677 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -171.19 98.06 0.2 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.049 -1.032 . . . . 0.0 109.235 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.547 ' N ' ' HE ' ' A' ' 124' ' ' ARG . 26.7 t70 -75.04 65.6 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 0.0 109.837 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.615 HH11 ' CG ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -153.54 -12.16 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -131.98 20.83 4.52 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 126' ' ' GLU . 1.4 pm0 -39.57 137.37 0.85 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.931 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.607 HG23 ' H ' ' A' ' 77' ' ' ILE . 3.7 tt -30.56 83.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 CA-C-O 122.065 0.936 . . . . 0.0 111.074 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 126' ' ' GLU . 30.9 tt0 -90.01 118.77 29.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.406 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.416 ' CE2' HD11 ' A' ' 127' ' ' ILE . 29.1 m-85 -96.28 123.62 39.99 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -106.58 131.48 53.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.562 ' C ' ' H ' ' A' ' 133' ' ' PHE . 0.8 OUTLIER -150.46 98.96 3.21 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.313 -0.867 . . . . 0.0 109.015 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -64.24 23.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 121.095 1.196 . . . . 0.0 110.88 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.562 ' H ' ' C ' ' A' ' 131' ' ' HIS . 61.4 m-85 -140.96 30.99 1.8 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.922 -1.112 . . . . 0.0 108.939 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 134' ' ' PHE . 68.7 t80 -150.37 43.38 0.85 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.811 . . . . 0.0 108.975 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -89.87 -168.09 2.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.368 -0.833 . . . . 0.0 109.393 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 137' ' ' ASN . 14.8 mmm180 -85.4 -70.84 0.56 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 136' ' ' ARG . 61.4 m-20 -58.35 -159.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -0.884 . . . . 0.0 109.606 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.4 m 50.81 72.31 1.27 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -71.9 44.34 0.64 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 C-N-CA 121.888 1.725 . . . . 0.0 110.284 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -143.4 5.65 1.44 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.75 -1.219 . . . . 0.0 109.75 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.38 -44.01 18.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.47 -50.61 40.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.264 -0.898 . . . . 0.0 109.55 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -75.5 58.36 1.02 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.404 -0.81 . . . . 0.0 109.831 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -160.08 -36.91 0.05 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.17 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 133' ' ' PHE . 33.5 mt -79.09 126.12 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.265 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.535 ' CD ' ' N ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -150.31 179.12 8.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.067 -1.02 . . . . 0.0 109.65 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 148' ' ' LYS . 38.4 ttp180 -70.16 87.15 0.58 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.479 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 147' ' ' ARG . 7.1 tptm . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.88 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' A' ' 46' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m 56.01 21.13 4.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -1.141 . . . . 0.0 109.422 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.46 -46.72 0.4 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 43.1 t -44.57 108.25 0.71 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.493 -1.004 . . . . 0.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -61.28 166.47 11.01 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 N-CA-C 109.683 -0.929 . . . . 0.0 109.683 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.99 6.08 1.73 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.275 -0.891 . . . . 0.0 109.633 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.65 -69.24 0.69 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 109.478 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.38 -42.56 91.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.258 -0.901 . . . . 0.0 109.468 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.54 -40.58 38.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.217 -0.927 . . . . 0.0 109.449 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -63.16 -42.02 99.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.173 -0.954 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 57' ' ' VAL . 40.5 mt -59.7 -18.18 40.41 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 109.182 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.5 t90 -76.59 -53.86 7.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.27 -45.95 36.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.283 -0.885 . . . . 0.0 109.367 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 tp -46.38 -61.44 1.8 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.313 -0.867 . . . . 0.0 109.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 53' ' ' LEU . 85.0 t -49.85 -31.12 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.558 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 59' ' ' ASP . 17.2 t70 -84.32 -128.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 109.393 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ASP . 75.2 m-20 53.24 171.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.399 -0.813 . . . . 0.0 109.826 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.36 -46.6 4.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.482 -0.761 . . . . 0.0 109.441 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -48.88 -27.71 3.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.553 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 p -99.69 31.72 3.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -87.09 44.11 1.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -170.26 -37.58 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.13 -0.981 . . . . 0.0 109.465 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -79.28 -29.59 42.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.344 -0.847 . . . . 0.0 108.993 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.66 136.0 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.061 -1.024 . . . . 0.0 109.638 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.2 p -155.79 179.83 8.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.78 150.44 29.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -83.07 126.31 32.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 109.53 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.2 mttt 46.15 -105.54 0.11 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.371 -0.83 . . . . 0.0 109.762 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.42 -90.67 0.07 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.59 54.32 0.37 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -89.89 -30.75 17.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.313 -1.11 . . . . 0.0 109.376 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 75' ' ' PHE . 12.2 p -171.13 -133.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.167 -0.958 . . . . 0.0 109.318 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.514 ' N ' ' OG ' ' A' ' 74' ' ' SER . 23.4 p90 -156.12 167.97 28.73 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.793 -1.192 . . . . 0.0 110.482 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 126' ' ' GLU . 2.4 p -147.06 157.19 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.448 -0.782 . . . . 0.0 109.522 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.635 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 34.3 mt -129.3 78.71 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' OE1' ' OD1' ' A' ' 123' ' ' ASP . 20.3 mt-30 -47.9 -60.77 2.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.234 -0.916 . . . . 0.0 109.676 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -83.32 105.46 14.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 109.534 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -87.59 -1.34 57.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.341 -0.85 . . . . 0.0 109.514 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.54 -88.78 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.05 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.26 -18.6 0.63 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.296 -0.877 . . . . 0.0 109.585 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.635 ' CZ ' HD13 ' A' ' 77' ' ' ILE . 20.9 t80 -70.2 1.45 4.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.055 -1.028 . . . . 0.0 109.233 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.7 -61.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.329 -0.857 . . . . 0.0 110.034 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -82.22 34.85 0.42 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.146 -0.971 . . . . 0.0 110.707 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -157.67 7.48 0.15 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.704 -1.247 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' O ' ' OD1' ' A' ' 91' ' ' ASN . 77.1 mt -146.26 -31.58 0.36 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.821 -1.174 . . . . 0.0 109.757 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 19.2 mt -78.36 -34.04 1.0 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.073 -1.017 . . . . 0.0 112.227 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 88' ' ' LEU . 4.9 Cg_exo -65.87 -47.13 4.02 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 120.606 0.87 . . . . 0.0 109.924 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.89 26.22 0.34 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.173 -0.955 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 87' ' ' LEU . 24.3 m120 -150.28 -77.39 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.186 -0.946 . . . . 0.0 109.623 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CB ' ' NE2' ' A' ' 94' ' ' HIS . 65.0 m-85 -89.83 -0.53 57.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.21 -0.931 . . . . 0.0 109.763 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 94' ' ' HIS . 32.4 tttp 74.1 -60.68 0.52 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.609 -0.682 . . . . 0.0 109.941 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.454 ' C ' ' ND1' ' A' ' 94' ' ' HIS . 5.6 p80 -52.07 -177.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.998 -1.064 . . . . 0.0 109.613 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -144.54 -15.5 0.56 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.233 -0.917 . . . . 0.0 109.647 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -48.79 128.19 15.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.136 -0.978 . . . . 0.0 109.292 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -79.86 -67.16 0.79 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.949 . . . . 0.0 109.745 -179.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.62 -17.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.206 -0.934 . . . . 0.0 109.714 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' MET . 28.9 t -74.75 -40.78 61.02 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.239 -0.913 . . . . 0.0 108.723 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -67.25 -44.81 78.49 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.342 -0.849 . . . . 0.0 108.954 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.29 -42.74 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.304 -0.873 . . . . 0.0 108.785 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -57.64 -26.31 61.42 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.997 -1.064 . . . . 0.0 108.667 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -78.47 -31.5 47.88 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.366 -0.833 . . . . 0.0 108.954 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.05 -34.38 73.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.963 . . . . 0.0 108.936 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.494 ' N ' HD22 ' A' ' 105' ' ' ASN . 1.2 m-80 -65.67 -16.12 63.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.114 -0.991 . . . . 0.0 109.399 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 35.8 mtm -88.58 -32.42 18.14 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.56 -24.15 42.32 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.024 -1.047 . . . . 0.0 109.267 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.26 76.21 1.01 Allowed Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -124.32 165.29 17.93 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.555 -0.967 . . . . 0.0 108.734 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -150.47 82.39 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.285 -0.884 . . . . 0.0 109.401 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -69.5 127.61 33.6 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.175 -0.953 . . . . 0.0 109.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -89.01 65.24 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 127' ' ' ILE . 12.0 t -161.7 164.38 29.14 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.304 -0.872 . . . . 0.0 109.823 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 113' ' ' THR . 41.0 t 48.01 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.222 -0.924 . . . . 0.0 109.571 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.1 tt -172.67 92.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.21 -0.931 . . . . 0.0 109.16 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 3.5 p30 42.3 41.13 2.04 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.541 -0.724 . . . . 0.0 109.998 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -154.18 155.62 35.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.856 . . . . 0.0 109.394 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.39 144.34 6.86 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 120' ' ' LEU . . . -157.83 16.48 0.32 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.616 -1.393 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 119' ' ' GLY . 0.3 OUTLIER -50.55 179.18 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.229 -1.159 . . . . 0.0 109.403 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -46.29 127.84 9.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.256 -0.902 . . . . 0.0 109.677 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -171.19 98.06 0.2 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.049 -1.032 . . . . 0.0 109.235 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.547 ' N ' ' HE ' ' A' ' 124' ' ' ARG . 26.7 t70 -75.04 65.6 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 0.0 109.837 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.615 ' CG ' HH11 ' A' ' 124' ' ' ARG . 0.0 OUTLIER -153.54 -12.16 0.15 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -131.98 20.83 4.52 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.594 ' H ' ' CD ' ' A' ' 126' ' ' GLU . 1.4 pm0 -39.57 137.37 0.85 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.931 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.607 HG23 ' H ' ' A' ' 77' ' ' ILE . 3.7 tt -30.56 83.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 CA-C-O 122.065 0.936 . . . . 0.0 111.074 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 126' ' ' GLU . 30.9 tt0 -90.01 118.77 29.82 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.793 -1.192 . . . . 0.0 110.406 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.416 ' CE2' HD11 ' A' ' 127' ' ' ILE . 29.1 m-85 -96.28 123.62 39.99 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -106.58 131.48 53.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.562 ' C ' ' H ' ' A' ' 133' ' ' PHE . 0.8 OUTLIER -150.46 98.96 3.21 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.313 -0.867 . . . . 0.0 109.015 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -64.24 23.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 121.095 1.196 . . . . 0.0 110.88 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.562 ' H ' ' C ' ' A' ' 131' ' ' HIS . 61.4 m-85 -140.96 30.99 1.8 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.922 -1.112 . . . . 0.0 108.939 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.523 ' O ' ' CD2' ' A' ' 134' ' ' PHE . 68.7 t80 -150.37 43.38 0.85 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.403 -0.811 . . . . 0.0 108.975 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -89.87 -168.09 2.04 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.368 -0.833 . . . . 0.0 109.393 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 137' ' ' ASN . 14.8 mmm180 -85.4 -70.84 0.56 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 136' ' ' ARG . 8.3 m120 -58.35 -159.8 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.286 -0.884 . . . . 0.0 109.606 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.4 m 50.81 72.31 1.27 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -71.9 44.34 0.64 Allowed 'Trans proline' 0 C--N 1.318 -1.063 0 C-N-CA 121.888 1.725 . . . . 0.0 110.284 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -143.4 5.65 1.44 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.75 -1.219 . . . . 0.0 109.75 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 34.4 mt -81.38 -44.01 18.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 0.0 109.338 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 23.7 mt -49.47 -50.61 40.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.264 -0.898 . . . . 0.0 109.55 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -75.5 58.36 1.02 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.404 -0.81 . . . . 0.0 109.831 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -160.08 -36.91 0.05 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.17 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 133' ' ' PHE . 33.5 mt -79.09 126.12 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.265 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.535 ' CD ' ' N ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -150.31 179.12 8.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.067 -1.02 . . . . 0.0 109.65 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 148' ' ' LYS . 38.4 ttp180 -70.16 87.15 0.58 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.479 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 147' ' ' ARG . 7.1 tptm . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.3 -0.875 . . . . 0.0 109.88 179.836 . . . . . . . . 1 1 . 1 stop_ save_